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

C9H6ClF5N2O — CID 118846701

IUPAC4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonyl chloride
SMILESNCc1cc(C(F)(F)F)nc(C(F)F)c1C(=O)Cl
InChIInChI=1S/C9H6ClF5N2O/c10-7(18)5-3(2-16)1-4(9(13,14)15)17-6(5)8(11)12/h1,8H,2,16H2
InChIKeyYLBINHOYWBODAM-UHFFFAOYSA-N
MW288.60 g/mol
LogP2.88
Rot. Bonds3

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

4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonyl chloride (PubChem CID 118846701) has the molecular formula C9H6ClF5N2O and a molecular weight of 288.60 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonyl chloride
PubChem CID118846701
Molecular FormulaC9H6ClF5N2O
Molecular Weight288.60 g/mol
Exact Mass288.01
IUPAC Name4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonyl chloride
SMILESNCc1cc(C(F)(F)F)nc(C(F)F)c1C(=O)Cl
InChIInChI=1S/C9H6ClF5N2O/c10-7(18)5-3(2-16)1-4(9(13,14)15)17-6(5)8(11)12/h1,8H,2,16H2
InChIKeyYLBINHOYWBODAM-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

[2-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086828
2-(difluoromethyl)-4-nitro-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 118809632
4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118852322
4-amino-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118822759
5-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonyl chloride
CID 133084782
4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 118824321
6-(aminomethyl)-3-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carbonyl chloride
CID 133084777
[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130081569
3-chloro-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 134684920
2-[2-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 119019464
6-(1,1-difluoroethyl)-2-(difluoromethyl)-4-ethylpyridine-3-carboxylic acid
CID 165461594
methyl 6-amino-4-(aminomethyl)-2-(difluoromethyl)pyridine-3-carboxylate
CID 134671535

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonyl chloride?
The IUPAC name of 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonyl chloride (CID 118846701) is 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonyl chloride.
What is the SMILES notation for 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonyl chloride?
The canonical SMILES for 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonyl chloride is NCc1cc(C(F)(F)F)nc(C(F)F)c1C(=O)Cl.
What is the InChIKey of 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonyl chloride?
The InChIKey is YLBINHOYWBODAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF5N2O/c10-7(18)5-3(2-16)1-4(9(13,14)15)17-6(5)8(11)12/h1,8H,2,16H2.
What are the key properties of 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonyl chloride?
4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-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 4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonyl chloride is sourced from PubChem (CID 118846701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).