6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride

C7H4BrClF2N2O — CID 130102239

IUPAC6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride
SMILESNc1ncc(C(=O)Cl)c(Br)c1C(F)F
InChIInChI=1S/C7H4BrClF2N2O/c8-4-2(5(9)14)1-13-7(12)3(4)6(10)11/h1,6H,(H2,12,13)
InChIKeyJXSBTAKNMQIWQN-UHFFFAOYSA-N
MW285.47 g/mol
LogP2.74
Rot. Bonds2

About 6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride

6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride (PubChem CID 130102239) has the molecular formula C7H4BrClF2N2O and a molecular weight of 285.47 g/mol. Its IUPAC name is 6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride
PubChem CID130102239
Molecular FormulaC7H4BrClF2N2O
Molecular Weight285.47 g/mol
Exact Mass283.92
IUPAC Name6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride
SMILESNc1ncc(C(=O)Cl)c(Br)c1C(F)F
InChIInChI=1S/C7H4BrClF2N2O/c8-4-2(5(9)14)1-13-7(12)3(4)6(10)11/h1,6H,(H2,12,13)
InChIKeyJXSBTAKNMQIWQN-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 ≤ 500285.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118994678
5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride
CID 130069553
5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride
CID 130068518
6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130109853
5-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069547
[6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol
CID 118991598
6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119006652
6-amino-4-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 130107574
2-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130095281
4-bromo-5-(difluoromethyl)-6-methylpyridine-3-carboxamide
CID 118844639
6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130072079
ethyl 2-amino-5-bromo-3-(difluoromethyl)pyridine-4-carboxylate
CID 134683617

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride?
The IUPAC name of 6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride (CID 130102239) is 6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride.
What is the SMILES notation for 6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride?
The canonical SMILES for 6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride is Nc1ncc(C(=O)Cl)c(Br)c1C(F)F.
What is the InChIKey of 6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride?
The InChIKey is JXSBTAKNMQIWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2N2O/c8-4-2(5(9)14)1-13-7(12)3(4)6(10)11/h1,6H,(H2,12,13).
What are the key properties of 6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride?
6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride has a molecular weight of 285.47 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-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride is sourced from PubChem (CID 130102239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).