4-(3,5-dichloroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile

C15H7Cl2FN4 — CID 69181938

IUPAC4-(3,5-dichloroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1cnc2cnc(F)cc2c1Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H7Cl2FN4/c16-9-1-10(17)3-11(2-9)22-15-8(5-19)6-20-13-7-21-14(18)4-12(13)15/h1-4,6-7H,(H,20,22)
InChIKeySQTUCYUSPYPKEJ-UHFFFAOYSA-N
MW333.15 g/mol
LogP4.69
Rot. Bonds2

About 4-(3,5-dichloroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile

4-(3,5-dichloroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile (PubChem CID 69181938) has the molecular formula C15H7Cl2FN4 and a molecular weight of 333.15 g/mol. Its IUPAC name is 4-(3,5-dichloroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3,5-dichloroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
PubChem CID69181938
Molecular FormulaC15H7Cl2FN4
Molecular Weight333.15 g/mol
Exact Mass332.00
IUPAC Name4-(3,5-dichloroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1cnc2cnc(F)cc2c1Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H7Cl2FN4/c16-9-1-10(17)3-11(2-9)22-15-8(5-19)6-20-13-7-21-14(18)4-12(13)15/h1-4,6-7H,(H,20,22)
InChIKeySQTUCYUSPYPKEJ-UHFFFAOYSA-N
XLogP4.69
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.15
LogP ≤ 54.69
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-(4-chloro-3-fluoroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
CID 69183763
6-fluoro-4-(3-iodoanilino)-1,7-naphthyridine-3-carbonitrile
CID 69180760
4-(3-bromo-4-methylanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
CID 69180814
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
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-ethylquinoline-3-carbonitrile;hydrochloride
CID 45283835
4-(3-chloro-4-fluoroanilino)-6-[(pyridin-3-ylamino)methyl]-1,7-naphthyridine-3-carbonitrile
CID 73011300
4-(5-chloro-2-fluoroanilino)quinoline-3-carbonitrile
CID 43669136
4-(3-chloro-4-fluoroanilino)-6-ethoxyquinoline-3-carbonitrile
CID 27655777
4-(4-fluoroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(3,5-dichloroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile (CID 69181938) is 4-(3,5-dichloroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(3,5-dichloroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(3,5-dichloroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile is N#Cc1cnc2cnc(F)cc2c1Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-(3,5-dichloroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile?
The InChIKey is SQTUCYUSPYPKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2FN4/c16-9-1-10(17)3-11(2-9)22-15-8(5-19)6-20-13-7-21-14(18)4-12(13)15/h1-4,6-7H,(H,20,22).
What are the key properties of 4-(3,5-dichloroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile?
4-(3,5-dichloroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile has a molecular weight of 333.15 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 69181938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).