[5-amino-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]methanol

C13H11F3N2O — CID 134629153

IUPAC[5-amino-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
SMILESNc1cnc(-c2ccccc2C(F)(F)F)cc1CO
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)10-4-2-1-3-9(10)12-5-8(7-19)11(17)6-18-12/h1-6,19H,7,17H2
InChIKeyNOHNCFCLZZPGCG-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.84
Rot. Bonds2

About [5-amino-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]methanol

[5-amino-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]methanol (PubChem CID 134629153) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is [5-amino-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-amino-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
PubChem CID134629153
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name[5-amino-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
SMILESNc1cnc(-c2ccccc2C(F)(F)F)cc1CO
InChIInChI=1S/C13H11F3N2O/c14-13(15,16)10-4-2-1-3-9(10)12-5-8(7-19)11(17)6-18-12/h1-6,19H,7,17H2
InChIKeyNOHNCFCLZZPGCG-UHFFFAOYSA-N
XLogP2.84
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-amino-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
CID 134629150
4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 118817860
4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 22030043
[2-chloro-3-[2-(trifluoromethyl)phenyl]phenyl]methanol
CID 119001005
6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 24729991
[4-chloro-2-[2-(trifluoromethyl)phenyl]phenyl]methanol
CID 134629558
[2-fluoro-5-[2-(trifluoromethyl)phenyl]phenyl]methanol
CID 134628152
5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
CID 146037649
4-methoxy-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine
CID 134628438
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
[2-amino-4,5-bis(trifluoromethyl)phenyl]methanol
CID 119022514
[2,5-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 134617951

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]methanol?
The IUPAC name of [5-amino-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]methanol (CID 134629153) is [5-amino-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]methanol.
What is the SMILES notation for [5-amino-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]methanol?
The canonical SMILES for [5-amino-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]methanol is Nc1cnc(-c2ccccc2C(F)(F)F)cc1CO.
What is the InChIKey of [5-amino-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]methanol?
The InChIKey is NOHNCFCLZZPGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c14-13(15,16)10-4-2-1-3-9(10)12-5-8(7-19)11(17)6-18-12/h1-6,19H,7,17H2.
What are the key properties of [5-amino-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]methanol?
[5-amino-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]methanol has a molecular weight of 268.24 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-[2-(trifluoromethyl)phenyl]-4-pyridinyl]methanol is sourced from PubChem (CID 134629153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).