5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride

C8H5BrClF2NO — CID 130069553

IUPAC5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride
SMILESCc1ncc(C(=O)Cl)c(C(F)F)c1Br
InChIInChI=1S/C8H5BrClF2NO/c1-3-6(9)5(8(11)12)4(2-13-3)7(10)14/h2,8H,1H3
InChIKeyJOZFIQKMUQQPAO-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.47
Rot. Bonds2

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

5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride (PubChem CID 130069553) has the molecular formula C8H5BrClF2NO and a molecular weight of 284.49 g/mol. Its IUPAC name is 5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride.

Molecular Properties

Compound Name5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride
PubChem CID130069553
Molecular FormulaC8H5BrClF2NO
Molecular Weight284.49 g/mol
Exact Mass282.92
IUPAC Name5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride
SMILESCc1ncc(C(=O)Cl)c(C(F)F)c1Br
InChIInChI=1S/C8H5BrClF2NO/c1-3-6(9)5(8(11)12)4(2-13-3)7(10)14/h2,8H,1H3
InChIKeyJOZFIQKMUQQPAO-UHFFFAOYSA-N
XLogP3.47
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride
CID 130068518
6-bromo-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130109853
2-[5-bromo-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid
CID 130069504
6-amino-4-bromo-5-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130102239
5-bromo-6-(difluoromethyl)-4-methylpyridine-3-carbonyl chloride
CID 130069547
4-bromo-5-(difluoromethyl)-6-methylpyridine-3-carboxamide
CID 118844639
3,5-dibromo-4-(difluoromethyl)-2-methylpyridine
CID 130098940
4-(difluoromethyl)-6-methoxy-5-methylpyridine-3-carbonyl chloride
CID 133099697
6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130072079
4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride
CID 133101443
3-bromo-4-(difluoromethyl)-2-methyl-5-nitropyridine
CID 130069118
2-bromo-3-(difluoromethyl)-5-methylpyridine-4-carbonyl chloride
CID 130069525

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride?
The IUPAC name of 5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride (CID 130069553) is 5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride.
What is the SMILES notation for 5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride?
The canonical SMILES for 5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride is Cc1ncc(C(=O)Cl)c(C(F)F)c1Br.
What is the InChIKey of 5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride?
The InChIKey is JOZFIQKMUQQPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF2NO/c1-3-6(9)5(8(11)12)4(2-13-3)7(10)14/h2,8H,1H3.
What are the key properties of 5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride?
5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride has a molecular weight of 284.49 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride is sourced from PubChem (CID 130069553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).