6-(3-fluoro-5-methylanilino)-5-nitropyridine-3-carboxylic acid

C13H10FN3O4 — CID 81446916

IUPAC6-(3-fluoro-5-methylanilino)-5-nitropyridine-3-carboxylic acid
SMILESCc1cc(F)cc(Nc2ncc(C(=O)O)cc2[N+](=O)[O-])c1
InChIInChI=1S/C13H10FN3O4/c1-7-2-9(14)5-10(3-7)16-12-11(17(20)21)4-8(6-15-12)13(18)19/h2-6H,1H3,(H,15,16)(H,18,19)
InChIKeyYYSPEADAOSIGFK-UHFFFAOYSA-N
MW291.24 g/mol
LogP2.88
Rot. Bonds4

About 6-(3-fluoro-5-methylanilino)-5-nitropyridine-3-carboxylic acid

6-(3-fluoro-5-methylanilino)-5-nitropyridine-3-carboxylic acid (PubChem CID 81446916) has the molecular formula C13H10FN3O4 and a molecular weight of 291.24 g/mol. Its IUPAC name is 6-(3-fluoro-5-methylanilino)-5-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-fluoro-5-methylanilino)-5-nitropyridine-3-carboxylic acid
PubChem CID81446916
Molecular FormulaC13H10FN3O4
Molecular Weight291.24 g/mol
Exact Mass291.07
IUPAC Name6-(3-fluoro-5-methylanilino)-5-nitropyridine-3-carboxylic acid
SMILESCc1cc(F)cc(Nc2ncc(C(=O)O)cc2[N+](=O)[O-])c1
InChIInChI=1S/C13H10FN3O4/c1-7-2-9(14)5-10(3-7)16-12-11(17(20)21)4-8(6-15-12)13(18)19/h2-6H,1H3,(H,15,16)(H,18,19)
InChIKeyYYSPEADAOSIGFK-UHFFFAOYSA-N
XLogP2.88
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 52.88
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

6-(3-bromo-5-methylanilino)-5-nitropyridine-3-carboxylic acid
CID 107584155
5-chloro-6-(3-fluoro-5-methylanilino)pyridine-3-carboxylic acid
CID 79049585
6-(2,5-difluoroanilino)-5-nitropyridine-3-carboxylic acid
CID 81441461
N-(3,5-dimethylphenyl)-3,5-dinitropyridin-2-amine
CID 2858015
6-(4-fluoro-2-iodoanilino)-5-nitropyridine-3-carboxylic acid
CID 81447500
6-(tert-butylamino)-5-nitropyridine-3-carboxylic acid
CID 80502721
6-hydrazinyl-5-nitropyridine-3-carboxylic acid
CID 82862825
6-[(1-ethylpyrazol-4-yl)amino]-5-nitropyridine-3-carboxylic acid
CID 81438375
6-(2-bromoanilino)-5-nitropyridine-3-carboxylic acid
CID 81437692
2-fluoro-4-[(5-methyl-3-nitro-2-pyridinyl)amino]benzoic acid
CID 107793252
6-[(4-methylphenyl)methylamino]-5-nitropyridine-3-carboxylic acid
CID 81442087
6-(2,6-dichloroanilino)-5-nitropyridine-3-carboxylic acid
CID 81448213

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-5-methylanilino)-5-nitropyridine-3-carboxylic acid?
The IUPAC name of 6-(3-fluoro-5-methylanilino)-5-nitropyridine-3-carboxylic acid (CID 81446916) is 6-(3-fluoro-5-methylanilino)-5-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-fluoro-5-methylanilino)-5-nitropyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-fluoro-5-methylanilino)-5-nitropyridine-3-carboxylic acid is Cc1cc(F)cc(Nc2ncc(C(=O)O)cc2[N+](=O)[O-])c1.
What is the InChIKey of 6-(3-fluoro-5-methylanilino)-5-nitropyridine-3-carboxylic acid?
The InChIKey is YYSPEADAOSIGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O4/c1-7-2-9(14)5-10(3-7)16-12-11(17(20)21)4-8(6-15-12)13(18)19/h2-6H,1H3,(H,15,16)(H,18,19).
What are the key properties of 6-(3-fluoro-5-methylanilino)-5-nitropyridine-3-carboxylic acid?
6-(3-fluoro-5-methylanilino)-5-nitropyridine-3-carboxylic acid has a molecular weight of 291.24 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-5-methylanilino)-5-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 81446916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).