[5-(aminomethyl)-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]methanol

C9H11F3N2O2 — CID 134672505

IUPAC[5-(aminomethyl)-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESCc1ncc(CN)c(OC(F)(F)F)c1CO
InChIInChI=1S/C9H11F3N2O2/c1-5-7(4-15)8(16-9(10,11)12)6(2-13)3-14-5/h3,15H,2,4,13H2,1H3
InChIKeyQSRQFLVCHNKBDV-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.24
Rot. Bonds3

About [5-(aminomethyl)-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]methanol

[5-(aminomethyl)-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]methanol (PubChem CID 134672505) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is [5-(aminomethyl)-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(aminomethyl)-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]methanol
PubChem CID134672505
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name[5-(aminomethyl)-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESCc1ncc(CN)c(OC(F)(F)F)c1CO
InChIInChI=1S/C9H11F3N2O2/c1-5-7(4-15)8(16-9(10,11)12)6(2-13)3-14-5/h3,15H,2,4,13H2,1H3
InChIKeyQSRQFLVCHNKBDV-UHFFFAOYSA-N
XLogP1.24
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [5-(aminomethyl)-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]methanol 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-iodo-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130112958
[5-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134664983
5-(aminomethyl)-4-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119023642
[6-methyl-4-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134679983
[2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118820192
ethyl 2-[5-iodo-6-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134662248
2-[2-amino-5-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118990941
ethyl 2-[4-iodo-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134659980
[4,6-difluoro-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130094285
methyl 5-(aminomethyl)-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 133085417
5-(bromomethyl)-6-methyl-4-(trifluoromethoxy)pyridin-3-ol
CID 130111911
[6-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666595

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]methanol?
The IUPAC name of [5-(aminomethyl)-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]methanol (CID 134672505) is [5-(aminomethyl)-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [5-(aminomethyl)-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [5-(aminomethyl)-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]methanol is Cc1ncc(CN)c(OC(F)(F)F)c1CO.
What is the InChIKey of [5-(aminomethyl)-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]methanol?
The InChIKey is QSRQFLVCHNKBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-5-7(4-15)8(16-9(10,11)12)6(2-13)3-14-5/h3,15H,2,4,13H2,1H3.
What are the key properties of [5-(aminomethyl)-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]methanol?
[5-(aminomethyl)-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]methanol has a molecular weight of 236.19 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 134672505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).