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

C9H9F5N2O — CID 118837003

IUPAC[2-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
SMILESNCc1ncc(C(F)(F)F)c(C(F)F)c1CO
InChIInChI=1S/C9H9F5N2O/c10-8(11)7-4(3-17)6(1-15)16-2-5(7)9(12,13)14/h2,8,17H,1,3,15H2
InChIKeyTZJXBPDKZCMPIR-UHFFFAOYSA-N
MW256.17 g/mol
LogP1.99
Rot. Bonds3

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

[2-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 118837003) has the molecular formula C9H9F5N2O and a molecular weight of 256.17 g/mol. Its IUPAC name is [2-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID118837003
Molecular FormulaC9H9F5N2O
Molecular Weight256.17 g/mol
Exact Mass256.06
IUPAC Name[2-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
SMILESNCc1ncc(C(F)(F)F)c(C(F)F)c1CO
InChIInChI=1S/C9H9F5N2O/c10-8(11)7-4(3-17)6(1-15)16-2-5(7)9(12,13)14/h2,8,17H,1,3,15H2
InChIKeyTZJXBPDKZCMPIR-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

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Related Compounds

[2-(aminomethyl)-4-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118820101
[4-bromo-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 118851075
methyl 2-[3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 133086982
[5-amino-2-(aminomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol
CID 130107021
[2-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118825588
3-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133086960
[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol
CID 118854091
[4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134672695
[4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 118824248
2-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 118838272
2-[2-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118849533
[4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 134671455

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [2-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol (CID 118837003) is [2-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol is NCc1ncc(C(F)(F)F)c(C(F)F)c1CO.
What is the InChIKey of [2-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is TZJXBPDKZCMPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5N2O/c10-8(11)7-4(3-17)6(1-15)16-2-5(7)9(12,13)14/h2,8,17H,1,3,15H2.
What are the key properties of [2-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol?
[2-(aminomethyl)-4-(difluoromethyl)-5-(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 [2-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 118837003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).