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

C8H6ClF2NO — CID 130097794

IUPAC3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
SMILESCc1ccnc(C(=O)Cl)c1C(F)F
InChIInChI=1S/C8H6ClF2NO/c1-4-2-3-12-6(7(9)13)5(4)8(10)11/h2-3,8H,1H3
InChIKeyUUVUJRVSFYCFBM-UHFFFAOYSA-N
MW205.59 g/mol
LogP2.71
Rot. Bonds2

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

3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride (PubChem CID 130097794) has the molecular formula C8H6ClF2NO and a molecular weight of 205.59 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride.

Molecular Properties

Compound Name3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
PubChem CID130097794
Molecular FormulaC8H6ClF2NO
Molecular Weight205.59 g/mol
Exact Mass205.01
IUPAC Name3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
SMILESCc1ccnc(C(=O)Cl)c1C(F)F
InChIInChI=1S/C8H6ClF2NO/c1-4-2-3-12-6(7(9)13)5(4)8(10)11/h2-3,8H,1H3
InChIKeyUUVUJRVSFYCFBM-UHFFFAOYSA-N
XLogP2.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.59
LogP ≤ 52.71
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

3-(difluoromethyl)-4-methoxypyridine-2-carbonyl chloride
CID 130097501
4-amino-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride
CID 118812031
6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 133107472
4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carbonyl chloride
CID 118845809
4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbonyl chloride
CID 118806978
5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 130105021
2-bromo-3-(difluoromethyl)-5-methylpyridine-4-carbonyl chloride
CID 130069525
4-amino-3-(difluoromethyl)-6-methylpyridine-2-carbonyl chloride
CID 118828226
3-(difluoromethoxy)-4-methylpyridine-2-carboxylic acid
CID 118326443
3-amino-4-fluoropyridine-2-carbonyl chloride
CID 130807412
2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride
CID 118854739
2,3-bis(difluoromethyl)-1,4-dimethylbenzene
CID 59795341

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride?
The IUPAC name of 3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride (CID 130097794) is 3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride.
What is the SMILES notation for 3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride?
The canonical SMILES for 3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride is Cc1ccnc(C(=O)Cl)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride?
The InChIKey is UUVUJRVSFYCFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO/c1-4-2-3-12-6(7(9)13)5(4)8(10)11/h2-3,8H,1H3.
What are the key properties of 3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride?
3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride has a molecular weight of 205.59 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride is sourced from PubChem (CID 130097794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).