[2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine

C9H9F5N2O2 — CID 134678172

IUPAC[2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
SMILESCOc1c(CN)cc(OC(F)(F)F)nc1C(F)F
InChIInChI=1S/C9H9F5N2O2/c1-17-7-4(3-15)2-5(18-9(12,13)14)16-6(7)8(10)11/h2,8H,3,15H2,1H3
InChIKeyVOCMQFSAUCJODM-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.39
Rot. Bonds4

About [2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine

[2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine (PubChem CID 134678172) has the molecular formula C9H9F5N2O2 and a molecular weight of 272.17 g/mol. Its IUPAC name is [2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
PubChem CID134678172
Molecular FormulaC9H9F5N2O2
Molecular Weight272.17 g/mol
Exact Mass272.06
IUPAC Name[2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
SMILESCOc1c(CN)cc(OC(F)(F)F)nc1C(F)F
InChIInChI=1S/C9H9F5N2O2/c1-17-7-4(3-15)2-5(18-9(12,13)14)16-6(7)8(10)11/h2,8H,3,15H2,1H3
InChIKeyVOCMQFSAUCJODM-UHFFFAOYSA-N
XLogP2.39
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine 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

4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine
CID 134668892
[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807180
[2-(difluoromethyl)-6-iodo-3-methoxy-4-pyridinyl]methanamine
CID 130085534
4-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-sulfonamide
CID 118846600
[2-chloro-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118824071
4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine
CID 119006806
[4-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118812946
methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085156
ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668307
[6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)-2-pyridinyl]methanamine
CID 133084888
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine
CID 119011988
4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine
CID 118823728

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine?
The IUPAC name of [2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine (CID 134678172) is [2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine is COc1c(CN)cc(OC(F)(F)F)nc1C(F)F.
What is the InChIKey of [2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine?
The InChIKey is VOCMQFSAUCJODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5N2O2/c1-17-7-4(3-15)2-5(18-9(12,13)14)16-6(7)8(10)11/h2,8H,3,15H2,1H3.
What are the key properties of [2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine?
[2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine has a molecular weight of 272.17 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 134678172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).