[6-chloro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol

C13H9ClF3NO2 — CID 134630815

IUPAC[6-chloro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
SMILESOCc1ccc(Cl)nc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H9ClF3NO2/c14-11-5-4-9(7-19)12(18-11)8-2-1-3-10(6-8)20-13(15,16)17/h1-6,19H,7H2
InChIKeySCHPEKOKRBXVKW-UHFFFAOYSA-N
MW303.67 g/mol
LogP3.79
Rot. Bonds3

About [6-chloro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol

[6-chloro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol (PubChem CID 134630815) has the molecular formula C13H9ClF3NO2 and a molecular weight of 303.67 g/mol. Its IUPAC name is [6-chloro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-chloro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
PubChem CID134630815
Molecular FormulaC13H9ClF3NO2
Molecular Weight303.67 g/mol
Exact Mass303.03
IUPAC Name[6-chloro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
SMILESOCc1ccc(Cl)nc1-c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H9ClF3NO2/c14-11-5-4-9(7-19)12(18-11)8-2-1-3-10(6-8)20-13(15,16)17/h1-6,19H,7H2
InChIKeySCHPEKOKRBXVKW-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[6-chloro-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130089838
2-[3-chloro-2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134625724
[2,6-bis[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 134618312
2-[2-chloro-6-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 119017945
[5-amino-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 133086826
2-[5-fluoro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089299
1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485
[2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]methanol
CID 134622576
2-[2-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118808116
1-(chloromethyl)-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
CID 118811245
[6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 24729919
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186

Frequently Asked Questions

What is the IUPAC name of [6-chloro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol?
The IUPAC name of [6-chloro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol (CID 134630815) is [6-chloro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol.
What is the SMILES notation for [6-chloro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol?
The canonical SMILES for [6-chloro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol is OCc1ccc(Cl)nc1-c1cccc(OC(F)(F)F)c1.
What is the InChIKey of [6-chloro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol?
The InChIKey is SCHPEKOKRBXVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO2/c14-11-5-4-9(7-19)12(18-11)8-2-1-3-10(6-8)20-13(15,16)17/h1-6,19H,7H2.
What are the key properties of [6-chloro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol?
[6-chloro-2-[3-(trifluoromethoxy)phenyl]-3-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 [6-chloro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol is sourced from PubChem (CID 134630815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).