6-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonyl chloride

C9H6ClF5N2O — CID 133084777

IUPAC6-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonyl chloride
SMILESNCc1cc(C(=O)Cl)c(C(F)F)c(C(F)(F)F)n1
InChIInChI=1S/C9H6ClF5N2O/c10-7(18)4-1-3(2-16)17-6(9(13,14)15)5(4)8(11)12/h1,8H,2,16H2
InChIKeyVBTJDZKWIOBFEA-UHFFFAOYSA-N
MW288.60 g/mol
LogP2.88
Rot. Bonds3

About 6-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonyl chloride

6-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonyl chloride (PubChem CID 133084777) has the molecular formula C9H6ClF5N2O and a molecular weight of 288.60 g/mol. Its IUPAC name is 6-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonyl chloride.

Molecular Properties

Compound Name6-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonyl chloride
PubChem CID133084777
Molecular FormulaC9H6ClF5N2O
Molecular Weight288.60 g/mol
Exact Mass288.01
IUPAC Name6-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonyl chloride
SMILESNCc1cc(C(=O)Cl)c(C(F)F)c(C(F)(F)F)n1
InChIInChI=1S/C9H6ClF5N2O/c10-7(18)4-1-3(2-16)17-6(9(13,14)15)5(4)8(11)12/h1,8H,2,16H2
InChIKeyVBTJDZKWIOBFEA-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

3-(difluoromethyl)-6-iodo-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 133100823
4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 118846701
[4-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 118839527
ethyl 3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)pyridine-4-carboxylate
CID 133104053
6-(aminomethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 133084808
[3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130081572
6-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonyl chloride
CID 130105658
6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134669897
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonyl chloride
CID 133084782
[6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 130107727
3-(difluoromethyl)-2,6-diiodopyridine-4-carbonyl chloride
CID 130100732
6-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 118808665

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonyl chloride?
The IUPAC name of 6-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonyl chloride (CID 133084777) is 6-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonyl chloride.
What is the SMILES notation for 6-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonyl chloride?
The canonical SMILES for 6-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonyl chloride is NCc1cc(C(=O)Cl)c(C(F)F)c(C(F)(F)F)n1.
What is the InChIKey of 6-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonyl chloride?
The InChIKey is VBTJDZKWIOBFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF5N2O/c10-7(18)4-1-3(2-16)17-6(9(13,14)15)5(4)8(11)12/h1,8H,2,16H2.
What are the key properties of 6-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonyl chloride?
6-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-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 6-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonyl chloride is sourced from PubChem (CID 133084777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).