[5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]methanol

C9H9F5N2O — CID 133084455

IUPAC[5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESNCc1cnc(C(F)F)c(CO)c1C(F)(F)F
InChIInChI=1S/C9H9F5N2O/c10-8(11)7-5(3-17)6(9(12,13)14)4(1-15)2-16-7/h2,8,17H,1,3,15H2
InChIKeyJOTACRGWZXYMNI-UHFFFAOYSA-N
MW256.17 g/mol
LogP1.99
Rot. Bonds3

About [5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]methanol

[5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 133084455) has the molecular formula C9H9F5N2O and a molecular weight of 256.17 g/mol. Its IUPAC name is [5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID133084455
Molecular FormulaC9H9F5N2O
Molecular Weight256.17 g/mol
Exact Mass256.06
IUPAC Name[5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]methanol
SMILESNCc1cnc(C(F)F)c(CO)c1C(F)(F)F
InChIInChI=1S/C9H9F5N2O/c10-8(11)7-5(3-17)6(9(12,13)14)4(1-15)2-16-7/h2,8,17H,1,3,15H2
InChIKeyJOTACRGWZXYMNI-UHFFFAOYSA-N
XLogP1.99
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)-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

[2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 118826518
6-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)pyridin-3-ol
CID 130085374
[4-amino-6-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 130107749
[5-(aminomethyl)-3-bromo-2-(difluoromethyl)-4-pyridinyl]methanol
CID 130070086
5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 133084836
[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol
CID 118854091
[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]methanol
CID 133084962
[4,5-diamino-2-(difluoromethyl)-3-pyridinyl]methanol
CID 118818389
[2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130086810
[2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]methanamine
CID 118818433
[2-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-4-pyridinyl]methanamine
CID 133084908
ethyl 2-[2-(difluoromethyl)-5-methyl-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 171029266

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]methanol (CID 133084455) is [5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]methanol is NCc1cnc(C(F)F)c(CO)c1C(F)(F)F.
What is the InChIKey of [5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is JOTACRGWZXYMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5N2O/c10-8(11)7-5(3-17)6(9(12,13)14)4(1-15)2-16-7/h2,8,17H,1,3,15H2.
What are the key properties of [5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]methanol?
[5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 256.17 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 133084455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).