5-bromo-2-chloropyrido[3,4-d]pyrimidine

C7H3BrClN3 — CID 135392162

IUPAC5-bromo-2-chloropyrido[3,4-d]pyrimidine
SMILESClc1ncc2c(Br)cncc2n1
InChIInChI=1S/C7H3BrClN3/c8-5-2-10-3-6-4(5)1-11-7(9)12-6/h1-3H
InChIKeyCGXCEKQBECCABC-UHFFFAOYSA-N
MW244.48 g/mol
LogP2.44
Rot. Bonds

About 5-bromo-2-chloropyrido[3,4-d]pyrimidine

5-bromo-2-chloropyrido[3,4-d]pyrimidine (PubChem CID 135392162) has the molecular formula C7H3BrClN3 and a molecular weight of 244.48 g/mol. Its IUPAC name is 5-bromo-2-chloropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloropyrido[3,4-d]pyrimidine
PubChem CID135392162
Molecular FormulaC7H3BrClN3
Molecular Weight244.48 g/mol
Exact Mass242.92
IUPAC Name5-bromo-2-chloropyrido[3,4-d]pyrimidine
SMILESClc1ncc2c(Br)cncc2n1
InChIInChI=1S/C7H3BrClN3/c8-5-2-10-3-6-4(5)1-11-7(9)12-6/h1-3H
InChIKeyCGXCEKQBECCABC-UHFFFAOYSA-N
XLogP2.44
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.48
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2,4-dichloropyrido[3,4-d]pyrimidine
CID 135392628
7-bromo-2,6-dichloroquinazoline
CID 131750244
5-bromo-2-chlorofuro[2,3-d]pyrimidine
CID 84697174
7-bromo-2-chloro-[1,3]thiazolo[4,5-c]pyridine
CID 133080891
5-bromo-1,7-naphthyridine-3-carbonyl chloride
CID 137490261
6-bromo-2-chloroquinazoline;ethane
CID 143712376
4-bromo-7-chloroisoquinoline;ethane
CID 167508730
5-bromo-2-chloro-N-phosphanylpyrimidin-4-amine
CID 143899539
5-bromo-2-chloro-4-ethynylpyrimidine
CID 140917314
4-bromo-1,6-dichloro-2,7-naphthyridine
CID 134830478
5-bromo-2-chloro-4-methylpyrimidine;5-bromo-2,4-dichloropyrimidine
CID 159405542
5-bromo-2-chloro-4-pentylpyrimidine
CID 174599025

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloropyrido[3,4-d]pyrimidine?
The IUPAC name of 5-bromo-2-chloropyrido[3,4-d]pyrimidine (CID 135392162) is 5-bromo-2-chloropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 5-bromo-2-chloropyrido[3,4-d]pyrimidine?
The canonical SMILES for 5-bromo-2-chloropyrido[3,4-d]pyrimidine is Clc1ncc2c(Br)cncc2n1.
What is the InChIKey of 5-bromo-2-chloropyrido[3,4-d]pyrimidine?
The InChIKey is CGXCEKQBECCABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClN3/c8-5-2-10-3-6-4(5)1-11-7(9)12-6/h1-3H.
What are the key properties of 5-bromo-2-chloropyrido[3,4-d]pyrimidine?
5-bromo-2-chloropyrido[3,4-d]pyrimidine has a molecular weight of 244.48 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 135392162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).