4-cyano-2-(trifluoromethyl)pyridine-3-carbonyl chloride

C8H2ClF3N2O — CID 118822589

IUPAC4-cyano-2-(trifluoromethyl)pyridine-3-carbonyl chloride
SMILESN#Cc1ccnc(C(F)(F)F)c1C(=O)Cl
InChIInChI=1S/C8H2ClF3N2O/c9-7(15)5-4(3-13)1-2-14-6(5)8(10,11)12/h1-2H
InChIKeySFDBSAAPFFFPOL-UHFFFAOYSA-N
MW234.56 g/mol
LogP2.35
Rot. Bonds1

About 4-cyano-2-(trifluoromethyl)pyridine-3-carbonyl chloride

4-cyano-2-(trifluoromethyl)pyridine-3-carbonyl chloride (PubChem CID 118822589) has the molecular formula C8H2ClF3N2O and a molecular weight of 234.56 g/mol. Its IUPAC name is 4-cyano-2-(trifluoromethyl)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-cyano-2-(trifluoromethyl)pyridine-3-carbonyl chloride
PubChem CID118822589
Molecular FormulaC8H2ClF3N2O
Molecular Weight234.56 g/mol
Exact Mass233.98
IUPAC Name4-cyano-2-(trifluoromethyl)pyridine-3-carbonyl chloride
SMILESN#Cc1ccnc(C(F)(F)F)c1C(=O)Cl
InChIInChI=1S/C8H2ClF3N2O/c9-7(15)5-4(3-13)1-2-14-6(5)8(10,11)12/h1-2H
InChIKeySFDBSAAPFFFPOL-UHFFFAOYSA-N
XLogP2.35
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.56
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cyano-2,6-bis(trifluoromethyl)pyridine-3-carbonyl chloride
CID 174943784
methyl 2-chloro-4-cyanopyridine-3-carboxylate
CID 58317566
4-cyano-3-(trifluoromethoxy)benzoyl chloride
CID 171028559
3-amino-2-[2-(trifluoromethyl)-3-pyridinyl]pyridine-4-carbonitrile
CID 118094673
ethyl 4-cyano-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 133096689
2-(2-chloroacetyl)-4-methyl-3-(trifluoromethyl)benzonitrile
CID 171028302
4-phenyl-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 133095875
3-cyano-2-fluoro-6-methoxybenzoyl chloride
CID 171022041
6-cyano-3-methoxy-2-methylbenzoyl chloride
CID 171026837
ethyl 2-[3-cyano-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133097243
4-cyano-2-sulfanylidene-1H-pyridine-3-carbonyl chloride
CID 130775291
3-methyl-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 90460143

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-(trifluoromethyl)pyridine-3-carbonyl chloride?
The IUPAC name of 4-cyano-2-(trifluoromethyl)pyridine-3-carbonyl chloride (CID 118822589) is 4-cyano-2-(trifluoromethyl)pyridine-3-carbonyl chloride.
What is the SMILES notation for 4-cyano-2-(trifluoromethyl)pyridine-3-carbonyl chloride?
The canonical SMILES for 4-cyano-2-(trifluoromethyl)pyridine-3-carbonyl chloride is N#Cc1ccnc(C(F)(F)F)c1C(=O)Cl.
What is the InChIKey of 4-cyano-2-(trifluoromethyl)pyridine-3-carbonyl chloride?
The InChIKey is SFDBSAAPFFFPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2ClF3N2O/c9-7(15)5-4(3-13)1-2-14-6(5)8(10,11)12/h1-2H.
What are the key properties of 4-cyano-2-(trifluoromethyl)pyridine-3-carbonyl chloride?
4-cyano-2-(trifluoromethyl)pyridine-3-carbonyl chloride has a molecular weight of 234.56 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-(trifluoromethyl)pyridine-3-carbonyl chloride is sourced from PubChem (CID 118822589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).