2-chloropyrido[3,2-d]pyrimidine

C7H4ClN3 — CID 11958054

IUPAC2-chloropyrido[3,2-d]pyrimidine
SMILESClc1ncc2ncccc2n1
InChIInChI=1S/C7H4ClN3/c8-7-10-4-6-5(11-7)2-1-3-9-6/h1-4H
InChIKeyLEIGIRAWJADGAI-UHFFFAOYSA-N
MW165.58 g/mol
LogP1.68
Rot. Bonds

About 2-chloropyrido[3,2-d]pyrimidine

2-chloropyrido[3,2-d]pyrimidine (PubChem CID 11958054) has the molecular formula C7H4ClN3 and a molecular weight of 165.58 g/mol. Its IUPAC name is 2-chloropyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-chloropyrido[3,2-d]pyrimidine
PubChem CID11958054
Molecular FormulaC7H4ClN3
Molecular Weight165.58 g/mol
Exact Mass165.01
IUPAC Name2-chloropyrido[3,2-d]pyrimidine
SMILESClc1ncc2ncccc2n1
InChIInChI=1S/C7H4ClN3/c8-7-10-4-6-5(11-7)2-1-3-9-6/h1-4H
InChIKeyLEIGIRAWJADGAI-UHFFFAOYSA-N
XLogP1.68
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.58
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloropyrido[3,2-d]pyrimidine?
The IUPAC name of 2-chloropyrido[3,2-d]pyrimidine (CID 11958054) is 2-chloropyrido[3,2-d]pyrimidine.
What is the SMILES notation for 2-chloropyrido[3,2-d]pyrimidine?
The canonical SMILES for 2-chloropyrido[3,2-d]pyrimidine is Clc1ncc2ncccc2n1.
What is the InChIKey of 2-chloropyrido[3,2-d]pyrimidine?
The InChIKey is LEIGIRAWJADGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3/c8-7-10-4-6-5(11-7)2-1-3-9-6/h1-4H.
What are the key properties of 2-chloropyrido[3,2-d]pyrimidine?
2-chloropyrido[3,2-d]pyrimidine has a molecular weight of 165.58 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyrido[3,2-d]pyrimidine is sourced from PubChem (CID 11958054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).