2-amino-N-(3-chloro-4-fluorophenyl)-3-nitropyridine-4-carboxamide

C12H8ClFN4O3 — CID 122686717

IUPAC2-amino-N-(3-chloro-4-fluorophenyl)-3-nitropyridine-4-carboxamide
SMILESNc1nccc(C(=O)Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-]
InChIInChI=1S/C12H8ClFN4O3/c13-8-5-6(1-2-9(8)14)17-12(19)7-3-4-16-11(15)10(7)18(20)21/h1-5H,(H2,15,16)(H,17,19)
InChIKeyLPHYQAYVEOKLKT-UHFFFAOYSA-N
MW310.67 g/mol
LogP2.62
Rot. Bonds3

About 2-amino-N-(3-chloro-4-fluorophenyl)-3-nitropyridine-4-carboxamide

2-amino-N-(3-chloro-4-fluorophenyl)-3-nitropyridine-4-carboxamide (PubChem CID 122686717) has the molecular formula C12H8ClFN4O3 and a molecular weight of 310.67 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-4-fluorophenyl)-3-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-4-fluorophenyl)-3-nitropyridine-4-carboxamide
PubChem CID122686717
Molecular FormulaC12H8ClFN4O3
Molecular Weight310.67 g/mol
Exact Mass310.03
IUPAC Name2-amino-N-(3-chloro-4-fluorophenyl)-3-nitropyridine-4-carboxamide
SMILESNc1nccc(C(=O)Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-]
InChIInChI=1S/C12H8ClFN4O3/c13-8-5-6(1-2-9(8)14)17-12(19)7-3-4-16-11(15)10(7)18(20)21/h1-5H,(H2,15,16)(H,17,19)
InChIKeyLPHYQAYVEOKLKT-UHFFFAOYSA-N
XLogP2.62
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.67
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(3-chloro-4-fluorophenyl)-2-nitrobenzamide
CID 62154053
2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide
CID 103730763
2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide
CID 115930885
N-(3-chloro-4-fluorophenyl)-2,4-dinitrobenzamide
CID 2852992
2-chloro-N-(4-chloro-2-fluorophenyl)-3-nitropyridine-4-carboxamide
CID 64856850
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
2-amino-N-(3-bromo-4-chlorophenyl)-3-fluoropyridine-4-carboxamide
CID 105386900
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 885992
2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696948
2-amino-N-(3-bromo-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105387341
4-chloro-N-(3-chloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 81225961
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-4-fluorophenyl)-3-nitropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(3-chloro-4-fluorophenyl)-3-nitropyridine-4-carboxamide (CID 122686717) is 2-amino-N-(3-chloro-4-fluorophenyl)-3-nitropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(3-chloro-4-fluorophenyl)-3-nitropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(3-chloro-4-fluorophenyl)-3-nitropyridine-4-carboxamide is Nc1nccc(C(=O)Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-].
What is the InChIKey of 2-amino-N-(3-chloro-4-fluorophenyl)-3-nitropyridine-4-carboxamide?
The InChIKey is LPHYQAYVEOKLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4O3/c13-8-5-6(1-2-9(8)14)17-12(19)7-3-4-16-11(15)10(7)18(20)21/h1-5H,(H2,15,16)(H,17,19).
What are the key properties of 2-amino-N-(3-chloro-4-fluorophenyl)-3-nitropyridine-4-carboxamide?
2-amino-N-(3-chloro-4-fluorophenyl)-3-nitropyridine-4-carboxamide has a molecular weight of 310.67 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-4-fluorophenyl)-3-nitropyridine-4-carboxamide is sourced from PubChem (CID 122686717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).