6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride

C8H7ClF2N2O — CID 130106642

IUPAC6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
SMILESCc1cc(C(=O)Cl)nc(N)c1C(F)F
InChIInChI=1S/C8H7ClF2N2O/c1-3-2-4(6(9)14)13-8(12)5(3)7(10)11/h2,7H,1H3,(H2,12,13)
InChIKeyMIZIQENWCYOGEK-UHFFFAOYSA-N
MW220.61 g/mol
LogP2.29
Rot. Bonds2

About 6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride

6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride (PubChem CID 130106642) has the molecular formula C8H7ClF2N2O and a molecular weight of 220.61 g/mol. Its IUPAC name is 6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride.

Molecular Properties

Compound Name6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
PubChem CID130106642
Molecular FormulaC8H7ClF2N2O
Molecular Weight220.61 g/mol
Exact Mass220.02
IUPAC Name6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
SMILESCc1cc(C(=O)Cl)nc(N)c1C(F)F
InChIInChI=1S/C8H7ClF2N2O/c1-3-2-4(6(9)14)13-8(12)5(3)7(10)11/h2,7H,1H3,(H2,12,13)
InChIKeyMIZIQENWCYOGEK-UHFFFAOYSA-N
XLogP2.29
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.61
LogP ≤ 52.29
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

5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130074499
6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbaldehyde
CID 119010249
5-(difluoromethyl)-4,6-dimethylpyridine-2-carboxamide
CID 130101518
4-amino-3-(difluoromethyl)-6-methylpyridine-2-carbonyl chloride
CID 118828226
6-amino-3-(difluoromethyl)-4-methylpyridine-2-carboxamide
CID 130106776
ethyl 6-amino-4-bromo-5-(difluoromethyl)pyridine-2-carboxylate
CID 134658929
3-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 118996985
2-amino-3-(difluoromethyl)-6-methylpyridine-4-carboxylic acid
CID 119006118
6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 133107472
5-(difluoromethyl)-6-methoxy-4-methylpyridine-2-carboxylic acid
CID 130087971
4-(difluoromethyl)-5-methylpyridine-2-carbonyl chloride
CID 118840590
4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride
CID 118800727

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride?
The IUPAC name of 6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride (CID 130106642) is 6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride.
What is the SMILES notation for 6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride?
The canonical SMILES for 6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride is Cc1cc(C(=O)Cl)nc(N)c1C(F)F.
What is the InChIKey of 6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride?
The InChIKey is MIZIQENWCYOGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O/c1-3-2-4(6(9)14)13-8(12)5(3)7(10)11/h2,7H,1H3,(H2,12,13).
What are the key properties of 6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride?
6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride has a molecular weight of 220.61 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride is sourced from PubChem (CID 130106642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).