6-Phenylpyridine-2-carboxylic acid

C12H9NO2CAS 39774-28-2199.21 g/mol

Open in Covalent MOL file
NOHO
Carboxylic acid

Properties

Molecular formula
C12H9NO2
Molar mass
199.21 g/mol
Exact mass
199.0633 Da
logP
2.45Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
39774-28-2
SMILES
C1=CC=C(C=C1)C2=NC(=CC=C2)C(=O)O
InChIKey
CXOPUGLYEYDAMC-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NO2/c14-12(15)11-8-4-7-10(13-11)9-5-2-1-3-6-9/h1-8H,(H,14,15)

Weigh it out

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Work with 6-Phenylpyridine-2-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2'-Bipyridine-6,6'-dicarboxylic acid4479-74-776 % similar Dipicolinic acid499-83-266 % similar 6-Hydroxypicolinic acid19621-92-256 % similar 6-Fluoropyridine-2-carboxylic acid402-69-756 % similar 6-Chloropicolinic acid4684-94-056 % similar 6-Bromopyridine-2-carboxylic acid21190-87-454 % similar 6-Aminopyridine-2-carboxylic acid23628-31-154 % similar 6-Methylpyridine-2-carboxylic acid934-60-154 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Nitrobiphenyl2113-58-8 2-Phenyl-3-pyridinecarboxylic acid33421-39-5 Phenyl 3-pyridinecarboxylate3468-53-9 4-(2-Pyridyl)benzoic acid4385-62-0 4-Pyridin-3-yl-benzoic acid4385-75-5 4-(Pyridin-4-yl)benzoic acid4385-76-6 3-(Pyridin-3-yl)benzoic acid4385-77-7 Dictamnine484-29-7

Elsewhere

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