[5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol

C13H9ClF3NO2 — CID 134629503

IUPAC[5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
SMILESOCc1cc(-c2ccc(OC(F)(F)F)cc2)ncc1Cl
InChIInChI=1S/C13H9ClF3NO2/c14-11-6-18-12(5-9(11)7-19)8-1-3-10(4-2-8)20-13(15,16)17/h1-6,19H,7H2
InChIKeyDZWJSEAZFYCDIC-UHFFFAOYSA-N
MW303.67 g/mol
LogP3.79
Rot. Bonds3

About [5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol

[5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol (PubChem CID 134629503) has the molecular formula C13H9ClF3NO2 and a molecular weight of 303.67 g/mol. Its IUPAC name is [5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
PubChem CID134629503
Molecular FormulaC13H9ClF3NO2
Molecular Weight303.67 g/mol
Exact Mass303.03
IUPAC Name[5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
SMILESOCc1cc(-c2ccc(OC(F)(F)F)cc2)ncc1Cl
InChIInChI=1S/C13H9ClF3NO2/c14-11-6-18-12(5-9(11)7-19)8-1-3-10(4-2-8)20-13(15,16)17/h1-6,19H,7H2
InChIKeyDZWJSEAZFYCDIC-UHFFFAOYSA-N
XLogP3.79
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.67
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134629495
2-[2,5-bis[4-(trifluoromethoxy)phenyl]-4-pyridinyl]acetonitrile
CID 133094062
[3,5-dichloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 134623616
[2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 133086821
[2,6-bis[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 134618312
4-chloro-6-[4-(trifluoromethoxy)phenyl]pyrimidine;ethane
CID 143849483
5-chloro-4-(chloromethyl)-2-[4-(trifluoromethoxy)phenoxy]pyridine
CID 114921355
2-[2-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 134626173
[5-chloro-2-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol
CID 133093742
6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxylic acid
CID 148732120
2-(hydroxymethyl)-6-methyl-3-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-1H-pyridin-4-one
CID 70825126
[2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanol
CID 118807199

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol?
The IUPAC name of [5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol (CID 134629503) is [5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol?
The canonical SMILES for [5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol is OCc1cc(-c2ccc(OC(F)(F)F)cc2)ncc1Cl.
What is the InChIKey of [5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol?
The InChIKey is DZWJSEAZFYCDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO2/c14-11-6-18-12(5-9(11)7-19)8-1-3-10(4-2-8)20-13(15,16)17/h1-6,19H,7H2.
What are the key properties of [5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol?
[5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol has a molecular weight of 303.67 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol is sourced from PubChem (CID 134629503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).