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

C15H8FIN4 — CID 69180760

IUPAC6-fluoro-4-(3-iodoanilino)-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1cnc2cnc(F)cc2c1Nc1cccc(I)c1
InChIInChI=1S/C15H8FIN4/c16-14-5-12-13(8-20-14)19-7-9(6-18)15(12)21-11-3-1-2-10(17)4-11/h1-5,7-8H,(H,19,21)
InChIKeyJEROMYKCTQYJOI-UHFFFAOYSA-N
MW390.16 g/mol
LogP3.99
Rot. Bonds2

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

6-fluoro-4-(3-iodoanilino)-1,7-naphthyridine-3-carbonitrile (PubChem CID 69180760) has the molecular formula C15H8FIN4 and a molecular weight of 390.16 g/mol. Its IUPAC name is 6-fluoro-4-(3-iodoanilino)-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-fluoro-4-(3-iodoanilino)-1,7-naphthyridine-3-carbonitrile
PubChem CID69180760
Molecular FormulaC15H8FIN4
Molecular Weight390.16 g/mol
Exact Mass389.98
IUPAC Name6-fluoro-4-(3-iodoanilino)-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1cnc2cnc(F)cc2c1Nc1cccc(I)c1
InChIInChI=1S/C15H8FIN4/c16-14-5-12-13(8-20-14)19-7-9(6-18)15(12)21-11-3-1-2-10(17)4-11/h1-5,7-8H,(H,19,21)
InChIKeyJEROMYKCTQYJOI-UHFFFAOYSA-N
XLogP3.99
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.16
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-3-fluoroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
CID 69183763
4-(3,5-dichloroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
CID 69181938
4-(3-bromo-4-methylanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
CID 69180814
6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768577
6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424
2-fluoro-4-(3-iodoanilino)benzonitrile
CID 113295528
4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328853
N-[3-cyano-4-(3-fluoroanilino)-7-methylquinolin-6-yl]acetamide
CID 149098326
4-(3-fluoro-4-methylanilino)quinoline-3-carbonitrile
CID 43669035
4-(3-chloro-4-fluoroanilino)-6-[(pyridin-3-ylamino)methyl]-1,7-naphthyridine-3-carbonitrile
CID 73011300
4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoro-1,7-naphthyridine-3-carbonitrile
CID 69316825
6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile
CID 50768733

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(3-iodoanilino)-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 6-fluoro-4-(3-iodoanilino)-1,7-naphthyridine-3-carbonitrile (CID 69180760) is 6-fluoro-4-(3-iodoanilino)-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-fluoro-4-(3-iodoanilino)-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-fluoro-4-(3-iodoanilino)-1,7-naphthyridine-3-carbonitrile is N#Cc1cnc2cnc(F)cc2c1Nc1cccc(I)c1.
What is the InChIKey of 6-fluoro-4-(3-iodoanilino)-1,7-naphthyridine-3-carbonitrile?
The InChIKey is JEROMYKCTQYJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FIN4/c16-14-5-12-13(8-20-14)19-7-9(6-18)15(12)21-11-3-1-2-10(17)4-11/h1-5,7-8H,(H,19,21).
What are the key properties of 6-fluoro-4-(3-iodoanilino)-1,7-naphthyridine-3-carbonitrile?
6-fluoro-4-(3-iodoanilino)-1,7-naphthyridine-3-carbonitrile has a molecular weight of 390.16 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(3-iodoanilino)-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 69180760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).