4-amino-3-(difluoromethyl)-6-methylpyridine-2-carbonyl chloride

C8H7ClF2N2O — CID 118828226

IUPAC4-amino-3-(difluoromethyl)-6-methylpyridine-2-carbonyl chloride
SMILESCc1cc(N)c(C(F)F)c(C(=O)Cl)n1
InChIInChI=1S/C8H7ClF2N2O/c1-3-2-4(12)5(8(10)11)6(13-3)7(9)14/h2,8H,1H3,(H2,12,13)
InChIKeySBHCEEAQFQRUIB-UHFFFAOYSA-N
MW220.61 g/mol
LogP2.29
Rot. Bonds2

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

4-amino-3-(difluoromethyl)-6-methylpyridine-2-carbonyl chloride (PubChem CID 118828226) has the molecular formula C8H7ClF2N2O and a molecular weight of 220.61 g/mol. Its IUPAC name is 4-amino-3-(difluoromethyl)-6-methylpyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-amino-3-(difluoromethyl)-6-methylpyridine-2-carbonyl chloride
PubChem CID118828226
Molecular FormulaC8H7ClF2N2O
Molecular Weight220.61 g/mol
Exact Mass220.02
IUPAC Name4-amino-3-(difluoromethyl)-6-methylpyridine-2-carbonyl chloride
SMILESCc1cc(N)c(C(F)F)c(C(=O)Cl)n1
InChIInChI=1S/C8H7ClF2N2O/c1-3-2-4(12)5(8(10)11)6(13-3)7(9)14/h2,8H,1H3,(H2,12,13)
InChIKeySBHCEEAQFQRUIB-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

4-amino-3-(difluoromethyl)-6-methylpyridine-2-carboxamide
CID 118851007
4-amino-6-chloro-3-(difluoromethyl)pyridine-2-carbonyl chloride
CID 118799690
4-(difluoromethyl)-3-iodo-6-methylpyridine-2-carbonyl chloride
CID 118829473
6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130106642
3-(difluoromethyl)-4-fluoro-6-methylpyridine-2-carboxamide
CID 130081330
6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 133107472
4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride
CID 118845152
ethyl 4-amino-6-bromo-3-(difluoromethyl)pyridine-2-carboxylate
CID 134684567
4-(aminomethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylic acid
CID 133098511
5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 130105021
2-amino-3-(difluoromethyl)-6-methylpyridine-4-carboxylic acid
CID 119006118
6-amino-3-(difluoromethyl)-4-methylpyridine-2-carboxamide
CID 130106776

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(difluoromethyl)-6-methylpyridine-2-carbonyl chloride?
The IUPAC name of 4-amino-3-(difluoromethyl)-6-methylpyridine-2-carbonyl chloride (CID 118828226) is 4-amino-3-(difluoromethyl)-6-methylpyridine-2-carbonyl chloride.
What is the SMILES notation for 4-amino-3-(difluoromethyl)-6-methylpyridine-2-carbonyl chloride?
The canonical SMILES for 4-amino-3-(difluoromethyl)-6-methylpyridine-2-carbonyl chloride is Cc1cc(N)c(C(F)F)c(C(=O)Cl)n1.
What is the InChIKey of 4-amino-3-(difluoromethyl)-6-methylpyridine-2-carbonyl chloride?
The InChIKey is SBHCEEAQFQRUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O/c1-3-2-4(12)5(8(10)11)6(13-3)7(9)14/h2,8H,1H3,(H2,12,13).
What are the key properties of 4-amino-3-(difluoromethyl)-6-methylpyridine-2-carbonyl chloride?
4-amino-3-(difluoromethyl)-6-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 4-amino-3-(difluoromethyl)-6-methylpyridine-2-carbonyl chloride is sourced from PubChem (CID 118828226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).