2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxamide

C7H6BrF2N3O — CID 118999240

IUPAC2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1c(C(F)F)cc(Br)nc1N
InChIInChI=1S/C7H6BrF2N3O/c8-3-1-2(5(9)10)4(7(12)14)6(11)13-3/h1,5H,(H2,11,13)(H2,12,14)
InChIKeyRPTUFOSTWUJKFH-UHFFFAOYSA-N
MW266.05 g/mol
LogP1.46
Rot. Bonds2

About 2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxamide

2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxamide (PubChem CID 118999240) has the molecular formula C7H6BrF2N3O and a molecular weight of 266.05 g/mol. Its IUPAC name is 2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxamide
PubChem CID118999240
Molecular FormulaC7H6BrF2N3O
Molecular Weight266.05 g/mol
Exact Mass264.97
IUPAC Name2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1c(C(F)F)cc(Br)nc1N
InChIInChI=1S/C7H6BrF2N3O/c8-3-1-2(5(9)10)4(7(12)14)6(11)13-3/h1,5H,(H2,11,13)(H2,12,14)
InChIKeyRPTUFOSTWUJKFH-UHFFFAOYSA-N
XLogP1.46
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.05
LogP ≤ 51.46
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-bromo-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 119014355
6-bromo-4-(difluoromethyl)pyridine-2,3-diamine
CID 130098542
2-bromo-4-(difluoromethyl)-6-fluoropyridine-3-carboxamide
CID 119010970
6-bromo-4-(difluoromethyl)-3-iodopyridin-2-amine
CID 119005201
5,6-diamino-4-(difluoromethyl)pyridine-2-carboxamide
CID 119003391
6-bromo-4-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 118995559
methyl 2,6-dibromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134676395
6-amino-5-(difluoromethyl)pyridine-2-carboxamide
CID 119001621
6-chloro-4-(difluoromethyl)-2-fluoropyridine-3-carboxamide
CID 130072196
6-bromo-2-cyano-4-(difluoromethyl)pyridine-3-carbonyl chloride
CID 134675207
6-amino-2-bromo-4-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130102254
2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 119013712

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxamide (CID 118999240) is 2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxamide is NC(=O)c1c(C(F)F)cc(Br)nc1N.
What is the InChIKey of 2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxamide?
The InChIKey is RPTUFOSTWUJKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2N3O/c8-3-1-2(5(9)10)4(7(12)14)6(11)13-3/h1,5H,(H2,11,13)(H2,12,14).
What are the key properties of 2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxamide?
2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxamide has a molecular weight of 266.05 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 118999240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).