2-amino-3-(difluoromethyl)-6-fluoropyridine-4-carboxamide

C7H6F3N3O — CID 118998716

IUPAC2-amino-3-(difluoromethyl)-6-fluoropyridine-4-carboxamide
SMILESNC(=O)c1cc(F)nc(N)c1C(F)F
InChIInChI=1S/C7H6F3N3O/c8-3-1-2(7(12)14)4(5(9)10)6(11)13-3/h1,5H,(H2,11,13)(H2,12,14)
InChIKeyVFRAMIWVJQTRQO-UHFFFAOYSA-N
MW205.14 g/mol
LogP0.84
Rot. Bonds2

About 2-amino-3-(difluoromethyl)-6-fluoropyridine-4-carboxamide

2-amino-3-(difluoromethyl)-6-fluoropyridine-4-carboxamide (PubChem CID 118998716) has the molecular formula C7H6F3N3O and a molecular weight of 205.14 g/mol. Its IUPAC name is 2-amino-3-(difluoromethyl)-6-fluoropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-3-(difluoromethyl)-6-fluoropyridine-4-carboxamide
PubChem CID118998716
Molecular FormulaC7H6F3N3O
Molecular Weight205.14 g/mol
Exact Mass205.05
IUPAC Name2-amino-3-(difluoromethyl)-6-fluoropyridine-4-carboxamide
SMILESNC(=O)c1cc(F)nc(N)c1C(F)F
InChIInChI=1S/C7H6F3N3O/c8-3-1-2(7(12)14)4(5(9)10)6(11)13-3/h1,5H,(H2,11,13)(H2,12,14)
InChIKeyVFRAMIWVJQTRQO-UHFFFAOYSA-N
XLogP0.84
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-cyano-3-(difluoromethyl)pyridine-4-carboxamide
CID 118995384
4-chloro-3-(difluoromethyl)-6-fluoropyridin-2-amine
CID 119006404
5,6-diamino-2-(difluoromethyl)pyridine-3-carboxamide
CID 119003054
2-chloro-3-(difluoromethyl)-6-fluoropyridine-4-carboxylic acid
CID 119004038
2-amino-3-(difluoromethyl)-6-methylpyridine-4-carboxylic acid
CID 119006118
2,3-diamino-6-(difluoromethyl)pyridine-4-carboxamide
CID 119018170
4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridin-2-amine
CID 119024454
methyl 2-amino-3-(difluoromethyl)-6-iodopyridine-4-carboxylate
CID 130105552
2-amino-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 119013647
3-(difluoromethyl)-2-fluoropyridine-4-carboxamide
CID 130096554
3-(difluoromethyl)-6-methyl-2-nitropyridine-4-carboxamide
CID 133098937
6-amino-3-(difluoromethyl)-4-methylpyridine-2-carboxamide
CID 130106776

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(difluoromethyl)-6-fluoropyridine-4-carboxamide?
The IUPAC name of 2-amino-3-(difluoromethyl)-6-fluoropyridine-4-carboxamide (CID 118998716) is 2-amino-3-(difluoromethyl)-6-fluoropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-3-(difluoromethyl)-6-fluoropyridine-4-carboxamide?
The canonical SMILES for 2-amino-3-(difluoromethyl)-6-fluoropyridine-4-carboxamide is NC(=O)c1cc(F)nc(N)c1C(F)F.
What is the InChIKey of 2-amino-3-(difluoromethyl)-6-fluoropyridine-4-carboxamide?
The InChIKey is VFRAMIWVJQTRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O/c8-3-1-2(7(12)14)4(5(9)10)6(11)13-3/h1,5H,(H2,11,13)(H2,12,14).
What are the key properties of 2-amino-3-(difluoromethyl)-6-fluoropyridine-4-carboxamide?
2-amino-3-(difluoromethyl)-6-fluoropyridine-4-carboxamide has a molecular weight of 205.14 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(difluoromethyl)-6-fluoropyridine-4-carboxamide is sourced from PubChem (CID 118998716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).