4-Chloropyrido(3,2-d)pyrimidine

C₇H₄ClN₃CAS 51674-77-2165.58 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₄ClN₃
Molar mass: 165.58 g/mol
Exact mass: 165.0094 Da
logP: 1.68Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

51674-77-2

SMILES

C1=CC2=C(C(=NC=N2)Cl)N=C1

InChIKey

PVTHTRIHQGKZNE-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClN3/c8-7-6-5(10-4-11-7)2-1-3-9-6/h1-4H

Weigh it out

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

Names and synonyms

1 names

Pyrido[3,2-D]pyrimidine, 4-chloro-

Work with 4-Chloropyrido(3,2-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-Dichloropyrido[3,2-D]pyrimidine39551-54-760 % similar 4-Chloro-quinazoline5190-68-153 % similar 2,3-Dichloropyridine2402-77-943 % similar 4-Chlorothieno[3,2-D]pyrimidine16269-66-242 % similar 1,5-Naphthyridine254-79-542 % similar 3-Bromo-2-chloropyridine52200-48-342 % similar 4-Chloro-5H-pyrrolo[3,2-D] pyrimidine84905-80-641 % similar 2-Chloro-3-fluoropyridine17282-04-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Chloropyrido[2,3-D]pyrimidine28732-79-8

Elsewhere

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