6-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyridin-3-ol

C14H13F3N2O — CID 79794361

IUPAC6-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyridin-3-ol
SMILESOc1ccc(CNCc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)11-3-1-10(2-4-11)7-18-8-12-5-6-13(20)9-19-12/h1-6,9,18,20H,7-8H2
InChIKeyGCQRJKQXZSKPCM-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.10
Rot. Bonds4

About 6-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyridin-3-ol

6-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyridin-3-ol (PubChem CID 79794361) has the molecular formula C14H13F3N2O and a molecular weight of 282.27 g/mol. Its IUPAC name is 6-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyridin-3-ol
PubChem CID79794361
Molecular FormulaC14H13F3N2O
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name6-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyridin-3-ol
SMILESOc1ccc(CNCc2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)11-3-1-10(2-4-11)7-18-8-12-5-6-13(20)9-19-12/h1-6,9,18,20H,7-8H2
InChIKeyGCQRJKQXZSKPCM-UHFFFAOYSA-N
XLogP3.10
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyridin-3-ol (CID 79794361) is 6-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyridin-3-ol is Oc1ccc(CNCc2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of 6-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyridin-3-ol?
The InChIKey is GCQRJKQXZSKPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c15-14(16,17)11-3-1-10(2-4-11)7-18-8-12-5-6-13(20)9-19-12/h1-6,9,18,20H,7-8H2.
What are the key properties of 6-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyridin-3-ol?
6-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyridin-3-ol has a molecular weight of 282.27 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 79794361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).