5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonyl chloride

C9H6ClF5N2O — CID 133084782

IUPAC5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonyl chloride
SMILESNCc1c(C(F)(F)F)cc(C(=O)Cl)nc1C(F)F
InChIInChI=1S/C9H6ClF5N2O/c10-7(18)5-1-4(9(13,14)15)3(2-16)6(17-5)8(11)12/h1,8H,2,16H2
InChIKeyPECBCFAMOYMHNX-UHFFFAOYSA-N
MW288.60 g/mol
LogP2.88
Rot. Bonds3

About 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonyl chloride

5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonyl chloride (PubChem CID 133084782) has the molecular formula C9H6ClF5N2O and a molecular weight of 288.60 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonyl chloride
PubChem CID133084782
Molecular FormulaC9H6ClF5N2O
Molecular Weight288.60 g/mol
Exact Mass288.01
IUPAC Name5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonyl chloride
SMILESNCc1c(C(F)(F)F)cc(C(=O)Cl)nc1C(F)F
InChIInChI=1S/C9H6ClF5N2O/c10-7(18)5-1-4(9(13,14)15)3(2-16)6(17-5)8(11)12/h1,8H,2,16H2
InChIKeyPECBCFAMOYMHNX-UHFFFAOYSA-N
XLogP2.88
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.60
LogP ≤ 52.88
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-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-sulfonyl chloride
CID 133084815
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 133107147
2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134671561
6-(difluoromethyl)-5-fluoro-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118825978
5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylic acid
CID 130086964
4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 118846701
6-(difluoromethyl)-4,5-diiodopyridine-2-carbonyl chloride
CID 118815357
methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133084710
5-bromo-4-chloro-6-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130108417
5-chloro-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130074499
[6-bromo-2-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130070024
2-[6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118837450

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonyl chloride?
The IUPAC name of 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonyl chloride (CID 133084782) is 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonyl chloride.
What is the SMILES notation for 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonyl chloride?
The canonical SMILES for 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonyl chloride is NCc1c(C(F)(F)F)cc(C(=O)Cl)nc1C(F)F.
What is the InChIKey of 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonyl chloride?
The InChIKey is PECBCFAMOYMHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF5N2O/c10-7(18)5-1-4(9(13,14)15)3(2-16)6(17-5)8(11)12/h1,8H,2,16H2.
What are the key properties of 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonyl chloride?
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonyl chloride has a molecular weight of 288.60 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonyl chloride is sourced from PubChem (CID 133084782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).