[4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol

C9H11F3N2O2 — CID 118807357

IUPAC[4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESCc1c(CN)cc(OC(F)(F)F)nc1CO
InChIInChI=1S/C9H11F3N2O2/c1-5-6(3-13)2-8(14-7(5)4-15)16-9(10,11)12/h2,15H,3-4,13H2,1H3
InChIKeyYCRPTVBXDZLJPP-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.24
Rot. Bonds3

About [4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol

[4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol (PubChem CID 118807357) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is [4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol
PubChem CID118807357
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name[4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESCc1c(CN)cc(OC(F)(F)F)nc1CO
InChIInChI=1S/C9H11F3N2O2/c1-5-6(3-13)2-8(14-7(5)4-15)16-9(10,11)12/h2,15H,3-4,13H2,1H3
InChIKeyYCRPTVBXDZLJPP-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

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Related Compounds

[4-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118812946
[4-amino-2-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118850873
[3-iodo-4-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134664598
[3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 134670747
[3-methoxy-2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134663125
[4-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134681809
2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134679833
ethyl 4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134676389
2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)pyridin-3-amine
CID 133086231
[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807180
[4-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 134668935
2-[3-(aminomethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 133085515

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol?
The IUPAC name of [4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol (CID 118807357) is [4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol is Cc1c(CN)cc(OC(F)(F)F)nc1CO.
What is the InChIKey of [4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol?
The InChIKey is YCRPTVBXDZLJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-5-6(3-13)2-8(14-7(5)4-15)16-9(10,11)12/h2,15H,3-4,13H2,1H3.
What are the key properties of [4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol?
[4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-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 [4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 118807357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).