2-(3-chloro-4-fluoroanilino)-6-nitro-1,8-naphthyridine-3-carbonitrile

C15H7ClFN5O2 — CID 22629123

IUPAC2-(3-chloro-4-fluoroanilino)-6-nitro-1,8-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2cc([N+](=O)[O-])cnc2nc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H7ClFN5O2/c16-12-5-10(1-2-13(12)17)20-15-9(6-18)3-8-4-11(22(23)24)7-19-14(8)21-15/h1-5,7H,(H,19,20,21)
InChIKeyBHRLLLRJKFSRBI-UHFFFAOYSA-N
MW343.71 g/mol
LogP3.95
Rot. Bonds3

About 2-(3-chloro-4-fluoroanilino)-6-nitro-1,8-naphthyridine-3-carbonitrile

2-(3-chloro-4-fluoroanilino)-6-nitro-1,8-naphthyridine-3-carbonitrile (PubChem CID 22629123) has the molecular formula C15H7ClFN5O2 and a molecular weight of 343.71 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-6-nitro-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-6-nitro-1,8-naphthyridine-3-carbonitrile
PubChem CID22629123
Molecular FormulaC15H7ClFN5O2
Molecular Weight343.71 g/mol
Exact Mass343.03
IUPAC Name2-(3-chloro-4-fluoroanilino)-6-nitro-1,8-naphthyridine-3-carbonitrile
SMILESN#Cc1cc2cc([N+](=O)[O-])cnc2nc1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H7ClFN5O2/c16-12-5-10(1-2-13(12)17)20-15-9(6-18)3-8-4-11(22(23)24)7-19-14(8)21-15/h1-5,7H,(H,19,20,21)
InChIKeyBHRLLLRJKFSRBI-UHFFFAOYSA-N
XLogP3.95
TPSA104.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.71
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3-chloro-4-fluoroanilino)-6-nitro-1,8-naphthyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-chloro-4-fluoroanilino)-3-nitropyridine-2-carbonitrile
CID 103471208
2-(3-chloro-4-fluoroanilino)pyridine-3-carbonitrile
CID 28832788
2-[(4-chlorophenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60678662
2,6-dichloro-N-(3-chloro-4-fluorophenyl)-4-nitroaniline
CID 106891417
4-N-(3-chloro-4-fluorophenyl)-6-N-(3,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22537882
2-(5-amino-2-chloroanilino)-5-nitropyridine-3-carbonitrile
CID 62099572
2-[(3-chloro-4-fluorophenyl)methylamino]-5-nitrobenzonitrile
CID 62531728
6-N-(3-chloro-4-fluorophenyl)-4-N-(2-chlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22532086
2-[2-chloro-4-[[6-(3-chloro-4-fluoroanilino)-5-nitropyrimidin-4-yl]amino]-5-methylphenyl]-2-(4-chlorophenyl)acetonitrile
CID 23483189
6-N-(4-bromophenyl)-4-N-(3-chloro-4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22533111
2,5-dichloro-N-(3-chloro-4-fluorophenyl)pyrimidin-4-amine
CID 79632577
8-chloro-4-(3-chloro-4-fluoroanilino)-6-nitroquinoline-3-carboxylic acid
CID 39234429

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-6-nitro-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-6-nitro-1,8-naphthyridine-3-carbonitrile (CID 22629123) is 2-(3-chloro-4-fluoroanilino)-6-nitro-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-6-nitro-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-6-nitro-1,8-naphthyridine-3-carbonitrile is N#Cc1cc2cc([N+](=O)[O-])cnc2nc1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-6-nitro-1,8-naphthyridine-3-carbonitrile?
The InChIKey is BHRLLLRJKFSRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClFN5O2/c16-12-5-10(1-2-13(12)17)20-15-9(6-18)3-8-4-11(22(23)24)7-19-14(8)21-15/h1-5,7H,(H,19,20,21).
What are the key properties of 2-(3-chloro-4-fluoroanilino)-6-nitro-1,8-naphthyridine-3-carbonitrile?
2-(3-chloro-4-fluoroanilino)-6-nitro-1,8-naphthyridine-3-carbonitrile has a molecular weight of 343.71 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoroanilino)-6-nitro-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 22629123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).