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

C8H10F3N3O2 — CID 133085846

IUPAC[3-amino-6-(aminomethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol
SMILESNCc1cc(CO)c(N)c(OC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)16-7-6(13)4(3-15)1-5(2-12)14-7/h1,15H,2-3,12-13H2
InChIKeyPTGKOUOSJLJXHX-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.51
Rot. Bonds3

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

[3-amino-6-(aminomethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol (PubChem CID 133085846) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is [3-amino-6-(aminomethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-amino-6-(aminomethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol
PubChem CID133085846
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name[3-amino-6-(aminomethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol
SMILESNCc1cc(CO)c(N)c(OC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)16-7-6(13)4(3-15)1-5(2-12)14-7/h1,15H,2-3,12-13H2
InChIKeyPTGKOUOSJLJXHX-UHFFFAOYSA-N
XLogP0.51
TPSA94.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 133085817
[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 133085828
2-[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133086423
ethyl 2-[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 133086133
6-(aminomethyl)-3-fluoro-2-(trifluoromethoxy)pyridin-4-amine
CID 118833524
2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 134667673
6-(aminomethyl)-3-chloro-2-(trifluoromethoxy)pyridin-4-amine
CID 133085760
[5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134680161
ethyl 2-[6-(aminomethyl)-3-hydroxy-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134659001
methyl 2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 134671474
[5-(aminomethyl)-4-fluoro-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134665127
[3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 134670747

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(aminomethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol?
The IUPAC name of [3-amino-6-(aminomethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol (CID 133085846) is [3-amino-6-(aminomethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [3-amino-6-(aminomethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol?
The canonical SMILES for [3-amino-6-(aminomethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol is NCc1cc(CO)c(N)c(OC(F)(F)F)n1.
What is the InChIKey of [3-amino-6-(aminomethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol?
The InChIKey is PTGKOUOSJLJXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)16-7-6(13)4(3-15)1-5(2-12)14-7/h1,15H,2-3,12-13H2.
What are the key properties of [3-amino-6-(aminomethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol?
[3-amino-6-(aminomethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol has a molecular weight of 237.18 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(aminomethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 133085846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).