1-bromo-3-fluoro-11H-pyrido[2,1-b]quinazoline

C12H8BrFN2 — CID 18992400

IUPAC1-bromo-3-fluoro-11H-pyrido[2,1-b]quinazoline
SMILESFc1cc(Br)c2c(c1)N=C1C=CC=CN1C2
InChIInChI=1S/C12H8BrFN2/c13-10-5-8(14)6-11-9(10)7-16-4-2-1-3-12(16)15-11/h1-6H,7H2
InChIKeyXDPXIKCLDUVIDE-UHFFFAOYSA-N
MW279.11 g/mol
LogP3.52
Rot. Bonds

About 1-bromo-3-fluoro-11H-pyrido[2,1-b]quinazoline

1-bromo-3-fluoro-11H-pyrido[2,1-b]quinazoline (PubChem CID 18992400) has the molecular formula C12H8BrFN2 and a molecular weight of 279.11 g/mol. Its IUPAC name is 1-bromo-3-fluoro-11H-pyrido[2,1-b]quinazoline.

Molecular Properties

Compound Name1-bromo-3-fluoro-11H-pyrido[2,1-b]quinazoline
PubChem CID18992400
Molecular FormulaC12H8BrFN2
Molecular Weight279.11 g/mol
Exact Mass277.99
IUPAC Name1-bromo-3-fluoro-11H-pyrido[2,1-b]quinazoline
SMILESFc1cc(Br)c2c(c1)N=C1C=CC=CN1C2
InChIInChI=1S/C12H8BrFN2/c13-10-5-8(14)6-11-9(10)7-16-4-2-1-3-12(16)15-11/h1-6H,7H2
InChIKeyXDPXIKCLDUVIDE-UHFFFAOYSA-N
XLogP3.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.11
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-fluoro-11H-pyrido[2,1-b]quinazoline?
The IUPAC name of 1-bromo-3-fluoro-11H-pyrido[2,1-b]quinazoline (CID 18992400) is 1-bromo-3-fluoro-11H-pyrido[2,1-b]quinazoline.
What is the SMILES notation for 1-bromo-3-fluoro-11H-pyrido[2,1-b]quinazoline?
The canonical SMILES for 1-bromo-3-fluoro-11H-pyrido[2,1-b]quinazoline is Fc1cc(Br)c2c(c1)N=C1C=CC=CN1C2.
What is the InChIKey of 1-bromo-3-fluoro-11H-pyrido[2,1-b]quinazoline?
The InChIKey is XDPXIKCLDUVIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrFN2/c13-10-5-8(14)6-11-9(10)7-16-4-2-1-3-12(16)15-11/h1-6H,7H2.
What are the key properties of 1-bromo-3-fluoro-11H-pyrido[2,1-b]quinazoline?
1-bromo-3-fluoro-11H-pyrido[2,1-b]quinazoline has a molecular weight of 279.11 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-fluoro-11H-pyrido[2,1-b]quinazoline is sourced from PubChem (CID 18992400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).