2-(4-bromoanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile

C15H8BrFN4 — CID 140511768

IUPAC2-(4-bromoanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2cc(F)ncc2nc1Nc1ccc(Br)cc1
InChIInChI=1S/C15H8BrFN4/c16-11-1-3-12(4-2-11)20-15-10(7-18)5-9-6-14(17)19-8-13(9)21-15/h1-6,8H,(H,20,21)
InChIKeySJCORSTZKPOMJI-UHFFFAOYSA-N
MW343.16 g/mol
LogP4.15
Rot. Bonds2

About 2-(4-bromoanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile

2-(4-bromoanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile (PubChem CID 140511768) has the molecular formula C15H8BrFN4 and a molecular weight of 343.16 g/mol. Its IUPAC name is 2-(4-bromoanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-bromoanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
PubChem CID140511768
Molecular FormulaC15H8BrFN4
Molecular Weight343.16 g/mol
Exact Mass341.99
IUPAC Name2-(4-bromoanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2cc(F)ncc2nc1Nc1ccc(Br)cc1
InChIInChI=1S/C15H8BrFN4/c16-11-1-3-12(4-2-11)20-15-10(7-18)5-9-6-14(17)19-8-13(9)21-15/h1-6,8H,(H,20,21)
InChIKeySJCORSTZKPOMJI-UHFFFAOYSA-N
XLogP4.15
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.16
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(4-bromoanilino)pyridine-3-carbonitrile
CID 54860748
2-(2-bromo-6-fluoroanilino)quinoline-3-carbonitrile
CID 107600392
4-(3-bromo-4-methylanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
CID 69180814
4-(4-bromoanilino)-2,3-difluorobenzonitrile
CID 107933239
5-[(5-bromo-2-pyridinyl)amino]-2-fluorobenzonitrile
CID 55057972
2-(4-bromo-3-fluoroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 65435376
5-amino-2-[(5-bromo-2-fluorophenyl)methylamino]pyridine-3-carbonitrile
CID 61299853
4-(4-chloro-3-fluoroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
CID 69183763
4-(4-bromoanilino)-6-nitroquinoline-3-carbonitrile
CID 22466762
6-fluoro-N-phenylpyrido[3,4-d]pyrimidin-4-amine
CID 10633767
5-amino-2-(2,4-dibromoanilino)pyridine-3-carbonitrile
CID 54952819
4-[(4-bromophenyl)methylamino]-2-fluorobenzonitrile
CID 115367079

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 2-(4-bromoanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile (CID 140511768) is 2-(4-bromoanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-bromoanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-(4-bromoanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile is N#Cc1cc2cc(F)ncc2nc1Nc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromoanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile?
The InChIKey is SJCORSTZKPOMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrFN4/c16-11-1-3-12(4-2-11)20-15-10(7-18)5-9-6-14(17)19-8-13(9)21-15/h1-6,8H,(H,20,21).
What are the key properties of 2-(4-bromoanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile?
2-(4-bromoanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile has a molecular weight of 343.16 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 140511768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).