[5-(aminomethyl)-4-fluoro-6-(trifluoromethoxy)-2-pyridinyl]methanol

C8H8F4N2O2 — CID 134665127

IUPAC[5-(aminomethyl)-4-fluoro-6-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESNCc1c(F)cc(CO)nc1OC(F)(F)F
InChIInChI=1S/C8H8F4N2O2/c9-6-1-4(3-15)14-7(5(6)2-13)16-8(10,11)12/h1,15H,2-3,13H2
InChIKeyWDCJCZBEYKSYDY-UHFFFAOYSA-N
MW240.16 g/mol
LogP1.07
Rot. Bonds3

About [5-(aminomethyl)-4-fluoro-6-(trifluoromethoxy)-2-pyridinyl]methanol

[5-(aminomethyl)-4-fluoro-6-(trifluoromethoxy)-2-pyridinyl]methanol (PubChem CID 134665127) has the molecular formula C8H8F4N2O2 and a molecular weight of 240.16 g/mol. Its IUPAC name is [5-(aminomethyl)-4-fluoro-6-(trifluoromethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(aminomethyl)-4-fluoro-6-(trifluoromethoxy)-2-pyridinyl]methanol
PubChem CID134665127
Molecular FormulaC8H8F4N2O2
Molecular Weight240.16 g/mol
Exact Mass240.05
IUPAC Name[5-(aminomethyl)-4-fluoro-6-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESNCc1c(F)cc(CO)nc1OC(F)(F)F
InChIInChI=1S/C8H8F4N2O2/c9-6-1-4(3-15)14-7(5(6)2-13)16-8(10,11)12/h1,15H,2-3,13H2
InChIKeyWDCJCZBEYKSYDY-UHFFFAOYSA-N
XLogP1.07
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[6-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134662110
[5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134665913
[3-amino-6-(aminomethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 133085846
[4-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134681809
methyl 2-[6-(bromomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134659684
2-[6-(aminomethyl)-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 133085499
[5-iodo-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666290
5-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-2-amine
CID 131369755
2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 134667673
6-(aminomethyl)-3-fluoro-2-(trifluoromethoxy)pyridin-4-amine
CID 118833524
[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 133085828
[5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134680161

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-4-fluoro-6-(trifluoromethoxy)-2-pyridinyl]methanol?
The IUPAC name of [5-(aminomethyl)-4-fluoro-6-(trifluoromethoxy)-2-pyridinyl]methanol (CID 134665127) is [5-(aminomethyl)-4-fluoro-6-(trifluoromethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [5-(aminomethyl)-4-fluoro-6-(trifluoromethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [5-(aminomethyl)-4-fluoro-6-(trifluoromethoxy)-2-pyridinyl]methanol is NCc1c(F)cc(CO)nc1OC(F)(F)F.
What is the InChIKey of [5-(aminomethyl)-4-fluoro-6-(trifluoromethoxy)-2-pyridinyl]methanol?
The InChIKey is WDCJCZBEYKSYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2O2/c9-6-1-4(3-15)14-7(5(6)2-13)16-8(10,11)12/h1,15H,2-3,13H2.
What are the key properties of [5-(aminomethyl)-4-fluoro-6-(trifluoromethoxy)-2-pyridinyl]methanol?
[5-(aminomethyl)-4-fluoro-6-(trifluoromethoxy)-2-pyridinyl]methanol has a molecular weight of 240.16 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-4-fluoro-6-(trifluoromethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 134665127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).