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

C8H10F3N3O2 — CID 133085817

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

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

[2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol (PubChem CID 133085817) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is [2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
PubChem CID133085817
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name[2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol
SMILESNCc1cc(CO)c(OC(F)(F)F)c(N)n1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)16-6-4(3-15)1-5(2-12)14-7(6)13/h1,15H,2-3,12H2,(H2,13,14)
InChIKeyRLXYXHRGADMLDH-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-amino-6-(aminomethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 133085846
4-(aminomethyl)-6-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119018318
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-amine
CID 119011988
4-(aminomethyl)-6-nitro-3-(trifluoromethoxy)pyridin-2-amine
CID 119009076
[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 134677424
[3-amino-5-fluoro-2-(trifluoromethoxy)phenyl]methanol
CID 131261840
[4-amino-6-(fluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118811822
[3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 134670747
[4,6-dichloro-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 130093865
[2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol
CID 134662303
[6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666113
[4-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118812946

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol?
The IUPAC name of [2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol (CID 133085817) is [2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol?
The canonical SMILES for [2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol is NCc1cc(CO)c(OC(F)(F)F)c(N)n1.
What is the InChIKey of [2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol?
The InChIKey is RLXYXHRGADMLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)16-6-4(3-15)1-5(2-12)14-7(6)13/h1,15H,2-3,12H2,(H2,13,14).
What are the key properties of [2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol?
[2-amino-6-(aminomethyl)-3-(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 [2-amino-6-(aminomethyl)-3-(trifluoromethoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 133085817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).