2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxylic acid

C7H5BrF2N2O2 — CID 119014355

IUPAC2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxylic acid
SMILESNc1nc(Br)cc(C(F)F)c1C(=O)O
InChIInChI=1S/C7H5BrF2N2O2/c8-3-1-2(5(9)10)4(7(13)14)6(11)12-3/h1,5H,(H2,11,12)(H,13,14)
InChIKeyOLLPVSDZFBKHMX-UHFFFAOYSA-N
MW267.03 g/mol
LogP2.06
Rot. Bonds2

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

2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxylic acid (PubChem CID 119014355) has the molecular formula C7H5BrF2N2O2 and a molecular weight of 267.03 g/mol. Its IUPAC name is 2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxylic acid
PubChem CID119014355
Molecular FormulaC7H5BrF2N2O2
Molecular Weight267.03 g/mol
Exact Mass265.95
IUPAC Name2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxylic acid
SMILESNc1nc(Br)cc(C(F)F)c1C(=O)O
InChIInChI=1S/C7H5BrF2N2O2/c8-3-1-2(5(9)10)4(7(13)14)6(11)12-3/h1,5H,(H2,11,12)(H,13,14)
InChIKeyOLLPVSDZFBKHMX-UHFFFAOYSA-N
XLogP2.06
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.03
LogP ≤ 52.06
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-carboxamide
CID 118999240
2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 119013712
6-bromo-4-(difluoromethyl)pyridine-2,3-diamine
CID 130098542
6-bromo-4-(difluoromethyl)-3-iodopyridin-2-amine
CID 119005201
6-amino-3-bromo-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 119008053
6-bromo-4-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130068422
6-bromo-4-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 118995559
methyl 2,6-dibromo-4-(difluoromethyl)pyridine-3-carboxylate
CID 134676395
6-bromo-2-cyano-4-(difluoromethyl)pyridine-3-carbonyl chloride
CID 134675207
6-amino-2-bromo-4-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130102254
4-bromo-2-(difluoromethyl)-6-methylbenzoic acid
CID 131347017
methyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate
CID 134669150

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxylic acid (CID 119014355) is 2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxylic acid is Nc1nc(Br)cc(C(F)F)c1C(=O)O.
What is the InChIKey of 2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is OLLPVSDZFBKHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N2O2/c8-3-1-2(5(9)10)4(7(13)14)6(11)12-3/h1,5H,(H2,11,12)(H,13,14).
What are the key properties of 2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxylic acid?
2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 267.03 g/mol, XLogP of 2.06, 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-carboxylic acid is sourced from PubChem (CID 119014355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).