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

C9H8F6N2O2 — CID 134670747

IUPAC[3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
SMILESNCc1c(CO)cc(OC(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C9H8F6N2O2/c10-8(11,12)7-5(2-16)4(3-18)1-6(17-7)19-9(13,14)15/h1,18H,2-3,16H2
InChIKeyFYSVYKMAIYIJAN-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.95
Rot. Bonds3

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

[3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 134670747) has the molecular formula C9H8F6N2O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is [3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
PubChem CID134670747
Molecular FormulaC9H8F6N2O2
Molecular Weight290.16 g/mol
Exact Mass290.05
IUPAC Name[3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
SMILESNCc1c(CO)cc(OC(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C9H8F6N2O2/c10-8(11,12)7-5(2-16)4(3-18)1-6(17-7)19-9(13,14)15/h1,18H,2-3,16H2
InChIKeyFYSVYKMAIYIJAN-UHFFFAOYSA-N
XLogP1.95
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(bromomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 134679011
3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-4-amine
CID 118823698
4-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-amine
CID 133086394
2-[4-(bromomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134671599
2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 119009677
[4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118807357
4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridin-2-amine
CID 119006806
[4-amino-2-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118850873
[2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 133085817
[3-amino-6-(aminomethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 133085846
2-[3-(chloromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134668042
3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine
CID 131601200

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol (CID 134670747) is [3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol is NCc1c(CO)cc(OC(F)(F)F)nc1C(F)(F)F.
What is the InChIKey of [3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol?
The InChIKey is FYSVYKMAIYIJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6N2O2/c10-8(11,12)7-5(2-16)4(3-18)1-6(17-7)19-9(13,14)15/h1,18H,2-3,16H2.
What are the key properties of [3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol?
[3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol has a molecular weight of 290.16 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 134670747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).