3-bromo-4H-pyrido[1,2-a]pyrimidine

C8H7BrN2 — CID 142754314

IUPAC3-bromo-4H-pyrido[1,2-a]pyrimidine
SMILESBrC1=CN=C2C=CC=CN2C1
InChIInChI=1S/C8H7BrN2/c9-7-5-10-8-3-1-2-4-11(8)6-7/h1-5H,6H2
InChIKeyKMSVIRBEENWOPP-UHFFFAOYSA-N
MW211.06 g/mol
LogP2.02
Rot. Bonds

About 3-bromo-4H-pyrido[1,2-a]pyrimidine

3-bromo-4H-pyrido[1,2-a]pyrimidine (PubChem CID 142754314) has the molecular formula C8H7BrN2 and a molecular weight of 211.06 g/mol. Its IUPAC name is 3-bromo-4H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-4H-pyrido[1,2-a]pyrimidine
PubChem CID142754314
Molecular FormulaC8H7BrN2
Molecular Weight211.06 g/mol
Exact Mass209.98
IUPAC Name3-bromo-4H-pyrido[1,2-a]pyrimidine
SMILESBrC1=CN=C2C=CC=CN2C1
InChIInChI=1S/C8H7BrN2/c9-7-5-10-8-3-1-2-4-11(8)6-7/h1-5H,6H2
InChIKeyKMSVIRBEENWOPP-UHFFFAOYSA-N
XLogP2.02
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 3-bromo-4H-pyrido[1,2-a]pyrimidine (CID 142754314) is 3-bromo-4H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 3-bromo-4H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 3-bromo-4H-pyrido[1,2-a]pyrimidine is BrC1=CN=C2C=CC=CN2C1.
What is the InChIKey of 3-bromo-4H-pyrido[1,2-a]pyrimidine?
The InChIKey is KMSVIRBEENWOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2/c9-7-5-10-8-3-1-2-4-11(8)6-7/h1-5H,6H2.
What are the key properties of 3-bromo-4H-pyrido[1,2-a]pyrimidine?
3-bromo-4H-pyrido[1,2-a]pyrimidine has a molecular weight of 211.06 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 142754314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).