(3-bromoquinolin-2-yl)-(3-fluoro-4-pyridinyl)methanone

C15H8BrFN2O — CID 104737946

IUPAC(3-bromoquinolin-2-yl)-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1F)c1nc2ccccc2cc1Br
InChIInChI=1S/C15H8BrFN2O/c16-11-7-9-3-1-2-4-13(9)19-14(11)15(20)10-5-6-18-8-12(10)17/h1-8H
InChIKeyLKFPBVNRHICHBF-UHFFFAOYSA-N
MW331.14 g/mol
LogP3.76
Rot. Bonds2

About (3-bromoquinolin-2-yl)-(3-fluoro-4-pyridinyl)methanone

(3-bromoquinolin-2-yl)-(3-fluoro-4-pyridinyl)methanone (PubChem CID 104737946) has the molecular formula C15H8BrFN2O and a molecular weight of 331.14 g/mol. Its IUPAC name is (3-bromoquinolin-2-yl)-(3-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name(3-bromoquinolin-2-yl)-(3-fluoro-4-pyridinyl)methanone
PubChem CID104737946
Molecular FormulaC15H8BrFN2O
Molecular Weight331.14 g/mol
Exact Mass329.98
IUPAC Name(3-bromoquinolin-2-yl)-(3-fluoro-4-pyridinyl)methanone
SMILESO=C(c1ccncc1F)c1nc2ccccc2cc1Br
InChIInChI=1S/C15H8BrFN2O/c16-11-7-9-3-1-2-4-13(9)19-14(11)15(20)10-5-6-18-8-12(10)17/h1-8H
InChIKeyLKFPBVNRHICHBF-UHFFFAOYSA-N
XLogP3.76
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.14
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromoquinolin-2-yl)-(3-fluoro-4-pyridinyl)methanone?
The IUPAC name of (3-bromoquinolin-2-yl)-(3-fluoro-4-pyridinyl)methanone (CID 104737946) is (3-bromoquinolin-2-yl)-(3-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for (3-bromoquinolin-2-yl)-(3-fluoro-4-pyridinyl)methanone?
The canonical SMILES for (3-bromoquinolin-2-yl)-(3-fluoro-4-pyridinyl)methanone is O=C(c1ccncc1F)c1nc2ccccc2cc1Br.
What is the InChIKey of (3-bromoquinolin-2-yl)-(3-fluoro-4-pyridinyl)methanone?
The InChIKey is LKFPBVNRHICHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrFN2O/c16-11-7-9-3-1-2-4-13(9)19-14(11)15(20)10-5-6-18-8-12(10)17/h1-8H.
What are the key properties of (3-bromoquinolin-2-yl)-(3-fluoro-4-pyridinyl)methanone?
(3-bromoquinolin-2-yl)-(3-fluoro-4-pyridinyl)methanone has a molecular weight of 331.14 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromoquinolin-2-yl)-(3-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 104737946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).