2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl chloride

C8H5ClF3NO — CID 2775675

IUPAC2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl chloride
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Cl
InChIInChI=1S/C8H5ClF3NO/c1-4-5(7(9)14)2-3-6(13-4)8(10,11)12/h2-3H,1H3
InChIKeyNXGBKYDPTQMSFS-UHFFFAOYSA-N
MW223.58 g/mol
LogP2.79
Rot. Bonds1

About 2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl chloride

2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl chloride (PubChem CID 2775675) has the molecular formula C8H5ClF3NO and a molecular weight of 223.58 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl chloride
PubChem CID2775675
Molecular FormulaC8H5ClF3NO
Molecular Weight223.58 g/mol
Exact Mass223.00
IUPAC Name2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl chloride
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Cl
InChIInChI=1S/C8H5ClF3NO/c1-4-5(7(9)14)2-3-6(13-4)8(10,11)12/h2-3H,1H3
InChIKeyNXGBKYDPTQMSFS-UHFFFAOYSA-N
XLogP2.79
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.58
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl chloride?
The IUPAC name of 2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl chloride (CID 2775675) is 2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl chloride.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl chloride?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl chloride is Cc1nc(C(F)(F)F)ccc1C(=O)Cl.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl chloride?
The InChIKey is NXGBKYDPTQMSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO/c1-4-5(7(9)14)2-3-6(13-4)8(10,11)12/h2-3H,1H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl chloride?
2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl chloride has a molecular weight of 223.58 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl chloride is sourced from PubChem (CID 2775675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).