6-amino-5-(difluoromethyl)-3-nitropyridine-2-carboxamide

C7H6F2N4O3 — CID 119023564

IUPAC6-amino-5-(difluoromethyl)-3-nitropyridine-2-carboxamide
SMILESNC(=O)c1nc(N)c(C(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6F2N4O3/c8-5(9)2-1-3(13(15)16)4(7(11)14)12-6(2)10/h1,5H,(H2,10,12)(H2,11,14)
InChIKeySFAFGVWKGOWBRD-UHFFFAOYSA-N
MW232.15 g/mol
LogP0.61
Rot. Bonds3

About 6-amino-5-(difluoromethyl)-3-nitropyridine-2-carboxamide

6-amino-5-(difluoromethyl)-3-nitropyridine-2-carboxamide (PubChem CID 119023564) has the molecular formula C7H6F2N4O3 and a molecular weight of 232.15 g/mol. Its IUPAC name is 6-amino-5-(difluoromethyl)-3-nitropyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-5-(difluoromethyl)-3-nitropyridine-2-carboxamide
PubChem CID119023564
Molecular FormulaC7H6F2N4O3
Molecular Weight232.15 g/mol
Exact Mass232.04
IUPAC Name6-amino-5-(difluoromethyl)-3-nitropyridine-2-carboxamide
SMILESNC(=O)c1nc(N)c(C(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H6F2N4O3/c8-5(9)2-1-3(13(15)16)4(7(11)14)12-6(2)10/h1,5H,(H2,10,12)(H2,11,14)
InChIKeySFAFGVWKGOWBRD-UHFFFAOYSA-N
XLogP0.61
TPSA125.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 50.61
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

3-(difluoromethyl)-6-iodo-5-nitropyridin-2-amine
CID 118997575
6-chloro-5-(difluoromethyl)-3-nitropyridin-2-amine
CID 119012355
ethyl 5-(difluoromethyl)-6-iodo-3-nitropyridine-2-carboxylate
CID 133101673
methyl 5-(difluoromethyl)-6-methyl-3-nitropyridine-2-carboxylate
CID 133098779
5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine
CID 119014971
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carboxamide
CID 118831634
5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride
CID 134683686
6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 119008053
6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 119023037
methyl 6-cyano-5-(difluoromethyl)-3-nitropyridine-2-carboxylate
CID 133107481
2,6-dibromo-3-(difluoromethyl)-5-nitropyridine
CID 118990338
methyl 6-amino-5-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 130105551

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(difluoromethyl)-3-nitropyridine-2-carboxamide?
The IUPAC name of 6-amino-5-(difluoromethyl)-3-nitropyridine-2-carboxamide (CID 119023564) is 6-amino-5-(difluoromethyl)-3-nitropyridine-2-carboxamide.
What is the SMILES notation for 6-amino-5-(difluoromethyl)-3-nitropyridine-2-carboxamide?
The canonical SMILES for 6-amino-5-(difluoromethyl)-3-nitropyridine-2-carboxamide is NC(=O)c1nc(N)c(C(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 6-amino-5-(difluoromethyl)-3-nitropyridine-2-carboxamide?
The InChIKey is SFAFGVWKGOWBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N4O3/c8-5(9)2-1-3(13(15)16)4(7(11)14)12-6(2)10/h1,5H,(H2,10,12)(H2,11,14).
What are the key properties of 6-amino-5-(difluoromethyl)-3-nitropyridine-2-carboxamide?
6-amino-5-(difluoromethyl)-3-nitropyridine-2-carboxamide has a molecular weight of 232.15 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(difluoromethyl)-3-nitropyridine-2-carboxamide is sourced from PubChem (CID 119023564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).