4-Chloropyrido[2,3-D]pyrimidine

C7H4ClN3CAS 28732-79-8165.58 g/mol

Open in Covalent MOL file
NNNCl
Aryl halide

Properties

Molecular formula
C7H4ClN3
Molar mass
165.58 g/mol
Exact mass
165.0094 Da
logP
1.68Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
28732-79-8
SMILES
C1=CC2=C(N=C1)N=CN=C2Cl
InChIKey
HJBCFHXEOPQFGF-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClN3/c8-6-5-2-1-3-9-7(5)11-4-10-6/h1-4H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4-Chloropyrido[2,3-D]pyrimidine

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

2,4-Dichloro-pyrido[2,3-d]pyrimidine126728-20-958 % similar 4-Chloro-quinazoline5190-68-153 % similar 1-Chloroisoquinoline19493-44-844 % similar 2,3-Dichloropyridine2402-77-943 % similar 4-Chlorothieno[2,3-D]pyrimidine14080-59-242 % similar 3-Bromo-2-chloropyridine52200-48-342 % similar 5,7-Dichloro-1,6-naphthyridine337958-60-842 % similar 5-Bromo-1-chloroisoquinoline34551-41-241 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloropyrido(3,2-d)pyrimidine51674-77-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook