[6-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol

C9H8F6N2O2 — CID 118831104

IUPAC[6-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol
SMILESNCc1nc(CO)c(C(F)(F)F)cc1OC(F)(F)F
InChIInChI=1S/C9H8F6N2O2/c10-8(11,12)4-1-7(19-9(13,14)15)5(2-16)17-6(4)3-18/h1,18H,2-3,16H2
InChIKeyGJJWVJOZKKGTEX-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.95
Rot. Bonds3

About [6-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol

[6-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 118831104) has the molecular formula C9H8F6N2O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is [6-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID118831104
Molecular FormulaC9H8F6N2O2
Molecular Weight290.16 g/mol
Exact Mass290.05
IUPAC Name[6-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol
SMILESNCc1nc(CO)c(C(F)(F)F)cc1OC(F)(F)F
InChIInChI=1S/C9H8F6N2O2/c10-8(11,12)4-1-7(19-9(13,14)15)5(2-16)17-6(4)3-18/h1,18H,2-3,16H2
InChIKeyGJJWVJOZKKGTEX-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

[6-methoxy-3-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 134661918
6-(aminomethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-3-ol
CID 134680204
2-[6-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134678169
[5-fluoro-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 134680686
6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118842664
[6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666113
[6-bromo-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 133087725
2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 119025293
2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 119014512
2-[6-(aminomethyl)-5-methyl-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118836988
[6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 119008282
6-(aminomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carboxamide
CID 118808662

Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [6-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol (CID 118831104) is [6-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [6-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol is NCc1nc(CO)c(C(F)(F)F)cc1OC(F)(F)F.
What is the InChIKey of [6-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is GJJWVJOZKKGTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6N2O2/c10-8(11,12)4-1-7(19-9(13,14)15)5(2-16)17-6(4)3-18/h1,18H,2-3,16H2.
What are the key properties of [6-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol?
[6-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-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 [6-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 118831104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).