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

C8H10F3N3O2 — CID 133085828

IUPAC[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESNCc1c(CO)cnc(OC(F)(F)F)c1N
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)16-7-6(13)5(1-12)4(3-15)2-14-7/h2,15H,1,3,12-13H2
InChIKeyXPEXDUVDYYZBSE-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.51
Rot. Bonds3

About [5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol

[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol (PubChem CID 133085828) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is [5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
PubChem CID133085828
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESNCc1c(CO)cnc(OC(F)(F)F)c1N
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)16-7-6(13)5(1-12)4(3-15)2-14-7/h2,15H,1,3,12-13H2
InChIKeyXPEXDUVDYYZBSE-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

5-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)pyridin-3-amine
CID 133086175
[3-amino-6-(aminomethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 133085846
[5-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134664983
2-[4-(aminomethyl)-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118824185
4-(aminomethyl)-5-bromo-6-(trifluoromethoxy)pyridin-3-amine
CID 131521298
4-(aminomethyl)-5-chloro-6-(trifluoromethoxy)pyridin-3-amine
CID 133085758
4-amino-5-(fluoromethyl)-2-(trifluoromethoxy)pyridin-3-ol
CID 118811668
2-[5-(aminomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134668988
[5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131607030
ethyl 2-[4-(aminomethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134677113
[4-bromo-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131570412
[4-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112707

Frequently Asked Questions

What is the IUPAC name of [5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol?
The IUPAC name of [5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol (CID 133085828) is [5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol is NCc1c(CO)cnc(OC(F)(F)F)c1N.
What is the InChIKey of [5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol?
The InChIKey is XPEXDUVDYYZBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)16-7-6(13)5(1-12)4(3-15)2-14-7/h2,15H,1,3,12-13H2.
What are the key properties of [5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol?
[5-amino-4-(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 [5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 133085828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).