4-(2-Pyridyl)benzoic 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
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
4385-62-0SMILES
C1=CC=NC(=C1)C2=CC=C(C=C2)C(=O)OInChIKey
AQIPNZHMXANQRC-UHFFFAOYSA-NInChI
InChI=1S/C12H9NO2/c14-12(15)10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H,(H,14,15)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-(2-Pyridyl)benzoic acid
Similar compounds
4-[2,2':6',2''-Terpyridin]-4'-ylbenzoic acid158014-74-573 % similar
2-(Pyridin-2-yl)pyrimidine-5-carboxylic acid933988-22-869 % similar
2,2':6',2''-Terpyridine-4'-carboxylic acid148332-36-964 % similar
[2,2′-Bipyridine]-4-carboxylic acid1748-89-664 % similar
(1,1'-Biphenyl)-4-carboxylic acid92-92-259 % similar
2,4,6-Tris(4-carboxyphenyl)-1,3,5-triazine61414-16-258 % similar
[P-Terphenyl]-4,4''-dicarboxylic acid13653-84-457 % similar
[1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-257 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.