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

C8H10F3N3O2 — CID 118850873

IUPAC[4-amino-2-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESNCc1nc(OC(F)(F)F)cc(N)c1CO
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)16-7-1-5(13)4(3-15)6(2-12)14-7/h1,15H,2-3,12H2,(H2,13,14)
InChIKeyBBYWWGCKDHGRIM-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.51
Rot. Bonds3

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

[4-amino-2-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol (PubChem CID 118850873) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is [4-amino-2-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-amino-2-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
PubChem CID118850873
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name[4-amino-2-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESNCc1nc(OC(F)(F)F)cc(N)c1CO
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)16-7-1-5(13)4(3-15)6(2-12)14-7/h1,15H,2-3,12H2,(H2,13,14)
InChIKeyBBYWWGCKDHGRIM-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

3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine
CID 131601200
3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-4-amine
CID 118823698
[4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118807357
2-(aminomethyl)-4-bromo-6-(trifluoromethoxy)pyridin-3-amine
CID 131521300
2-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)pyridin-4-amine
CID 118824129
[3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 134670747
2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)pyridin-3-amine
CID 133086231
3-(aminomethyl)-2-nitro-6-(trifluoromethoxy)pyridin-4-amine
CID 118829332
ethyl 2-[2-(aminomethyl)-4-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134677110
methyl 2-[2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668160
4-chloro-2-(hydroxymethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 118811553
[3-iodo-4-methoxy-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134664598

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol?
The IUPAC name of [4-amino-2-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol (CID 118850873) is [4-amino-2-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [4-amino-2-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [4-amino-2-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol is NCc1nc(OC(F)(F)F)cc(N)c1CO.
What is the InChIKey of [4-amino-2-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol?
The InChIKey is BBYWWGCKDHGRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)16-7-1-5(13)4(3-15)6(2-12)14-7/h1,15H,2-3,12H2,(H2,13,14).
What are the key properties of [4-amino-2-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol?
[4-amino-2-(aminomethyl)-6-(trifluoromethoxy)-3-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 [4-amino-2-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 118850873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).