6-amino-2-bromo-4-(difluoromethyl)pyridine-3-carbonyl chloride

C7H4BrClF2N2O — CID 130102254

IUPAC6-amino-2-bromo-4-(difluoromethyl)pyridine-3-carbonyl chloride
SMILESNc1cc(C(F)F)c(C(=O)Cl)c(Br)n1
InChIInChI=1S/C7H4BrClF2N2O/c8-5-4(6(9)14)2(7(10)11)1-3(12)13-5/h1,7H,(H2,12,13)
InChIKeyFEXDZGHIUIHYMR-UHFFFAOYSA-N
MW285.48 g/mol
LogP2.74
Rot. Bonds2

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

6-amino-2-bromo-4-(difluoromethyl)pyridine-3-carbonyl chloride (PubChem CID 130102254) has the molecular formula C7H4BrClF2N2O and a molecular weight of 285.48 g/mol. Its IUPAC name is 6-amino-2-bromo-4-(difluoromethyl)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-amino-2-bromo-4-(difluoromethyl)pyridine-3-carbonyl chloride
PubChem CID130102254
Molecular FormulaC7H4BrClF2N2O
Molecular Weight285.48 g/mol
Exact Mass283.92
IUPAC Name6-amino-2-bromo-4-(difluoromethyl)pyridine-3-carbonyl chloride
SMILESNc1cc(C(F)F)c(C(=O)Cl)c(Br)n1
InChIInChI=1S/C7H4BrClF2N2O/c8-5-4(6(9)14)2(7(10)11)1-3(12)13-5/h1,7H,(H2,12,13)
InChIKeyFEXDZGHIUIHYMR-UHFFFAOYSA-N
XLogP2.74
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine
CID 130101938
methyl 2,6-diamino-4-(difluoromethyl)pyridine-3-carboxylate
CID 134669150
2-bromo-4-(difluoromethyl)-6-fluoropyridine-3-carboxamide
CID 119010970
methyl 2-[6-amino-2-bromo-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134669816
6-bromo-2-cyano-4-(difluoromethyl)pyridine-3-carbonyl chloride
CID 134675207
2-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069543
4-(difluoromethyl)-2-fluoro-6-iodopyridine-3-carbonyl chloride
CID 130080397
6-amino-2-bromo-3-(difluoromethyl)pyridine-4-carboxylic acid
CID 130102115
6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxamide
CID 130103139
2-bromo-5-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069537
2-amino-6-bromo-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 119014355
6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxylic acid
CID 130102887

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-bromo-4-(difluoromethyl)pyridine-3-carbonyl chloride?
The IUPAC name of 6-amino-2-bromo-4-(difluoromethyl)pyridine-3-carbonyl chloride (CID 130102254) is 6-amino-2-bromo-4-(difluoromethyl)pyridine-3-carbonyl chloride.
What is the SMILES notation for 6-amino-2-bromo-4-(difluoromethyl)pyridine-3-carbonyl chloride?
The canonical SMILES for 6-amino-2-bromo-4-(difluoromethyl)pyridine-3-carbonyl chloride is Nc1cc(C(F)F)c(C(=O)Cl)c(Br)n1.
What is the InChIKey of 6-amino-2-bromo-4-(difluoromethyl)pyridine-3-carbonyl chloride?
The InChIKey is FEXDZGHIUIHYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2N2O/c8-5-4(6(9)14)2(7(10)11)1-3(12)13-5/h1,7H,(H2,12,13).
What are the key properties of 6-amino-2-bromo-4-(difluoromethyl)pyridine-3-carbonyl chloride?
6-amino-2-bromo-4-(difluoromethyl)pyridine-3-carbonyl chloride has a molecular weight of 285.48 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-bromo-4-(difluoromethyl)pyridine-3-carbonyl chloride is sourced from PubChem (CID 130102254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).