4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxamide

C9H8F5N3O — CID 118824321

IUPAC4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESNCc1cc(C(F)F)nc(C(F)(F)F)c1C(N)=O
InChIInChI=1S/C9H8F5N3O/c10-7(11)4-1-3(2-15)5(8(16)18)6(17-4)9(12,13)14/h1,7H,2,15H2,(H2,16,18)
InChIKeyDMHZOVKEVQZCEP-UHFFFAOYSA-N
MW269.17 g/mol
LogP1.60
Rot. Bonds3

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

4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 118824321) has the molecular formula C9H8F5N3O and a molecular weight of 269.17 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID118824321
Molecular FormulaC9H8F5N3O
Molecular Weight269.17 g/mol
Exact Mass269.06
IUPAC Name4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESNCc1cc(C(F)F)nc(C(F)(F)F)c1C(N)=O
InChIInChI=1S/C9H8F5N3O/c10-7(11)4-1-3(2-15)5(8(16)18)6(17-4)9(12,13)14/h1,7H,2,15H2,(H2,16,18)
InChIKeyDMHZOVKEVQZCEP-UHFFFAOYSA-N
XLogP1.60
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130086829
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 133084760
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118835601
4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 118846701
methyl 4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 133084570
4-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine
CID 130087399
[3-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130081572
2-[4-(aminomethyl)-2-bromo-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118812910
[6-(difluoromethyl)-4-(2-methylpropyl)-2-(trifluoromethyl)-3-pyridinyl] acetate
CID 174520727
[6-(difluoromethyl)-3-iodo-2-methyl-4-pyridinyl]methanamine
CID 118852482
2-[3-(aminomethyl)-2-bromo-6-(difluoromethyl)-4-pyridinyl]acetic acid
CID 134673859
ethyl 4-(aminomethyl)-2-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 134686539

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxamide (CID 118824321) is 4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxamide is NCc1cc(C(F)F)nc(C(F)(F)F)c1C(N)=O.
What is the InChIKey of 4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is DMHZOVKEVQZCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5N3O/c10-7(11)4-1-3(2-15)5(8(16)18)6(17-4)9(12,13)14/h1,7H,2,15H2,(H2,16,18).
What are the key properties of 4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxamide?
4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 269.17 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 118824321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).