[3,5-dichloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol

C13H8Cl2F3NO2 — CID 134623616

IUPAC[3,5-dichloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
SMILESOCc1c(Cl)cnc(-c2ccc(OC(F)(F)F)cc2)c1Cl
InChIInChI=1S/C13H8Cl2F3NO2/c14-10-5-19-12(11(15)9(10)6-20)7-1-3-8(4-2-7)21-13(16,17)18/h1-5,20H,6H2
InChIKeyZLAWHXDXLZHRGA-UHFFFAOYSA-N
MW338.11 g/mol
LogP4.45
Rot. Bonds3

About [3,5-dichloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol

[3,5-dichloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol (PubChem CID 134623616) has the molecular formula C13H8Cl2F3NO2 and a molecular weight of 338.11 g/mol. Its IUPAC name is [3,5-dichloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3,5-dichloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
PubChem CID134623616
Molecular FormulaC13H8Cl2F3NO2
Molecular Weight338.11 g/mol
Exact Mass336.99
IUPAC Name[3,5-dichloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
SMILESOCc1c(Cl)cnc(-c2ccc(OC(F)(F)F)cc2)c1Cl
InChIInChI=1S/C13H8Cl2F3NO2/c14-10-5-19-12(11(15)9(10)6-20)7-1-3-8(4-2-7)21-13(16,17)18/h1-5,20H,6H2
InChIKeyZLAWHXDXLZHRGA-UHFFFAOYSA-N
XLogP4.45
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.11
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 134629503
5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086673
2-[5-chloro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133094110
[3,5-dichloro-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 170906648
[2,6-bis[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 134618312
[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol
CID 133089338
2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089301
1,2,5-trichloro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119016233
[2-amino-5-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 133086821
2-[3,5-dichloro-2-[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134623593
2,2,2-trifluoro-N-[6-(hydroxymethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazin-2-yl]ethanehydrazonoyl bromide
CID 134542803
5-chloro-2-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134629495

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol?
The IUPAC name of [3,5-dichloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol (CID 134623616) is [3,5-dichloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol.
What is the SMILES notation for [3,5-dichloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol?
The canonical SMILES for [3,5-dichloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol is OCc1c(Cl)cnc(-c2ccc(OC(F)(F)F)cc2)c1Cl.
What is the InChIKey of [3,5-dichloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol?
The InChIKey is ZLAWHXDXLZHRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NO2/c14-10-5-19-12(11(15)9(10)6-20)7-1-3-8(4-2-7)21-13(16,17)18/h1-5,20H,6H2.
What are the key properties of [3,5-dichloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol?
[3,5-dichloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol has a molecular weight of 338.11 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol is sourced from PubChem (CID 134623616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).