6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carboxamide

C9H8F5N3O2 — CID 118808662

IUPAC6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carboxamide
SMILESNCc1nc(C(F)F)c(C(N)=O)cc1OC(F)(F)F
InChIInChI=1S/C9H8F5N3O2/c10-7(11)6-3(8(16)18)1-5(4(2-15)17-6)19-9(12,13)14/h1,7H,2,15H2,(H2,16,18)
InChIKeyWUZYAIRZVNIUJW-UHFFFAOYSA-N
MW285.17 g/mol
LogP1.48
Rot. Bonds4

About 6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carboxamide

6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carboxamide (PubChem CID 118808662) has the molecular formula C9H8F5N3O2 and a molecular weight of 285.17 g/mol. Its IUPAC name is 6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carboxamide
PubChem CID118808662
Molecular FormulaC9H8F5N3O2
Molecular Weight285.17 g/mol
Exact Mass285.05
IUPAC Name6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carboxamide
SMILESNCc1nc(C(F)F)c(C(N)=O)cc1OC(F)(F)F
InChIInChI=1S/C9H8F5N3O2/c10-7(11)6-3(8(16)18)1-5(4(2-15)17-6)19-9(12,13)14/h1,7H,2,15H2,(H2,16,18)
InChIKeyWUZYAIRZVNIUJW-UHFFFAOYSA-N
XLogP1.48
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)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-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118842664
2-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-amine
CID 133086334
2-[6-(bromomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118838119
ethyl 2-[6-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134682247
2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 119025293
ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134668999
2-[6-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134678169
methyl 2-[6-(bromomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134663640
6-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)pyridin-3-amine
CID 133086353
2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118836960
2-(bromomethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine
CID 118838243
2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134661435

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carboxamide?
The IUPAC name of 6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carboxamide (CID 118808662) is 6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carboxamide?
The canonical SMILES for 6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carboxamide is NCc1nc(C(F)F)c(C(N)=O)cc1OC(F)(F)F.
What is the InChIKey of 6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carboxamide?
The InChIKey is WUZYAIRZVNIUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5N3O2/c10-7(11)6-3(8(16)18)1-5(4(2-15)17-6)19-9(12,13)14/h1,7H,2,15H2,(H2,16,18).
What are the key properties of 6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carboxamide?
6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carboxamide has a molecular weight of 285.17 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 118808662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).