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

C13H11F3N2O2 — CID 133086826

IUPAC[5-amino-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
SMILESNc1cc(CO)cnc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)20-10-3-1-2-9(5-10)12-11(17)4-8(7-19)6-18-12/h1-6,19H,7,17H2
InChIKeyRBMJPULWZRBJPD-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.72
Rot. Bonds3

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

[5-amino-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol (PubChem CID 133086826) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is [5-amino-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-amino-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
PubChem CID133086826
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name[5-amino-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
SMILESNc1cc(CO)cnc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)20-10-3-1-2-9(5-10)12-11(17)4-8(7-19)6-18-12/h1-6,19H,7,17H2
InChIKeyRBMJPULWZRBJPD-UHFFFAOYSA-N
XLogP2.72
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 24729919
2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 118828810
2-[5-fluoro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089299
5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 22326853
[6-chloro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 134630815
5-(hydroxymethyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091674
2-[2-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118808116
methyl 6-amino-5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylate
CID 133086893
2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline
CID 134624108
5-[3-(trifluoromethoxy)phenyl]-1,3-oxazol-2-amine
CID 121231645
6-methoxy-5-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086740
2-methyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine
CID 107105132

Frequently Asked Questions

What is the IUPAC name of [5-amino-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol?
The IUPAC name of [5-amino-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol (CID 133086826) is [5-amino-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol.
What is the SMILES notation for [5-amino-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol?
The canonical SMILES for [5-amino-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol is Nc1cc(CO)cnc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of [5-amino-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol?
The InChIKey is RBMJPULWZRBJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c14-13(15,16)20-10-3-1-2-9(5-10)12-11(17)4-8(7-19)6-18-12/h1-6,19H,7,17H2.
What are the key properties of [5-amino-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol?
[5-amino-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol has a molecular weight of 284.24 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol is sourced from PubChem (CID 133086826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).