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

C15H7ClF2N4 — CID 69183763

IUPAC4-(4-chloro-3-fluoroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1cnc2cnc(F)cc2c1Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H7ClF2N4/c16-11-2-1-9(3-12(11)17)22-15-8(5-19)6-20-13-7-21-14(18)4-10(13)15/h1-4,6-7H,(H,20,22)
InChIKeyHXCQYVUZKIRAMC-UHFFFAOYSA-N
MW316.70 g/mol
LogP4.18
Rot. Bonds2

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

4-(4-chloro-3-fluoroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile (PubChem CID 69183763) has the molecular formula C15H7ClF2N4 and a molecular weight of 316.70 g/mol. Its IUPAC name is 4-(4-chloro-3-fluoroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-chloro-3-fluoroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
PubChem CID69183763
Molecular FormulaC15H7ClF2N4
Molecular Weight316.70 g/mol
Exact Mass316.03
IUPAC Name4-(4-chloro-3-fluoroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1cnc2cnc(F)cc2c1Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H7ClF2N4/c16-11-2-1-9(3-12(11)17)22-15-8(5-19)6-20-13-7-21-14(18)4-10(13)15/h1-4,6-7H,(H,20,22)
InChIKeyHXCQYVUZKIRAMC-UHFFFAOYSA-N
XLogP4.18
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.70
LogP ≤ 54.18
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

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-iodoanilino)-1,7-naphthyridine-3-carbonitrile
CID 69180760
6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile
CID 50768733
4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoro-1,7-naphthyridine-3-carbonitrile
CID 69316825
4-(3-chloro-4-fluoroanilino)-6-[(pyridin-3-ylamino)methyl]-1,7-naphthyridine-3-carbonitrile
CID 73011300
4-(3-chloro-4-fluoroanilino)-6-ethoxyquinoline-3-carbonitrile
CID 27655777
4-(3-chloro-4-fluoroanilino)-6-ethylquinoline-3-carbonitrile;hydrochloride
CID 45283835
4-(3-fluoro-4-methylanilino)quinoline-3-carbonitrile
CID 43669035
6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768417
6-[(3-bromophenyl)methylamino]-4-(3-chloro-4-fluoroanilino)-1,7-naphthyridine-3-carbonitrile
CID 175257756
4-(3-chloro-4-fluoroanilino)-6-[(4-cyanophenyl)methylamino]quinoline-3-carbonitrile
CID 69258656

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-fluoroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(4-chloro-3-fluoroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile (CID 69183763) is 4-(4-chloro-3-fluoroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-chloro-3-fluoroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(4-chloro-3-fluoroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile is N#Cc1cnc2cnc(F)cc2c1Nc1ccc(Cl)c(F)c1.
What is the InChIKey of 4-(4-chloro-3-fluoroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile?
The InChIKey is HXCQYVUZKIRAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF2N4/c16-11-2-1-9(3-12(11)17)22-15-8(5-19)6-20-13-7-21-14(18)4-10(13)15/h1-4,6-7H,(H,20,22).
What are the key properties of 4-(4-chloro-3-fluoroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile?
4-(4-chloro-3-fluoroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile has a molecular weight of 316.70 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-fluoroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 69183763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).