[5,6-dichloro-3-(trifluoromethyl)-2-pyridinyl]-phenylmethanol

C13H8Cl2F3NO — CID 102368273

IUPAC[5,6-dichloro-3-(trifluoromethyl)-2-pyridinyl]-phenylmethanol
SMILESOC(c1ccccc1)c1nc(Cl)c(Cl)cc1C(F)(F)F
InChIInChI=1S/C13H8Cl2F3NO/c14-9-6-8(13(16,17)18)10(19-12(9)15)11(20)7-4-2-1-3-5-7/h1-6,11,20H
InChIKeyLUBAVVPUSKNJCA-UHFFFAOYSA-N
MW322.11 g/mol
LogP4.49
Rot. Bonds2

About [5,6-dichloro-3-(trifluoromethyl)-2-pyridinyl]-phenylmethanol

[5,6-dichloro-3-(trifluoromethyl)-2-pyridinyl]-phenylmethanol (PubChem CID 102368273) has the molecular formula C13H8Cl2F3NO and a molecular weight of 322.11 g/mol. Its IUPAC name is [5,6-dichloro-3-(trifluoromethyl)-2-pyridinyl]-phenylmethanol.

Molecular Properties

Compound Name[5,6-dichloro-3-(trifluoromethyl)-2-pyridinyl]-phenylmethanol
PubChem CID102368273
Molecular FormulaC13H8Cl2F3NO
Molecular Weight322.11 g/mol
Exact Mass320.99
IUPAC Name[5,6-dichloro-3-(trifluoromethyl)-2-pyridinyl]-phenylmethanol
SMILESOC(c1ccccc1)c1nc(Cl)c(Cl)cc1C(F)(F)F
InChIInChI=1S/C13H8Cl2F3NO/c14-9-6-8(13(16,17)18)10(19-12(9)15)11(20)7-4-2-1-3-5-7/h1-6,11,20H
InChIKeyLUBAVVPUSKNJCA-UHFFFAOYSA-N
XLogP4.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.11
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5,6-dichloro-3-(trifluoromethyl)-2-pyridinyl]-phenylmethanol?
The IUPAC name of [5,6-dichloro-3-(trifluoromethyl)-2-pyridinyl]-phenylmethanol (CID 102368273) is [5,6-dichloro-3-(trifluoromethyl)-2-pyridinyl]-phenylmethanol.
What is the SMILES notation for [5,6-dichloro-3-(trifluoromethyl)-2-pyridinyl]-phenylmethanol?
The canonical SMILES for [5,6-dichloro-3-(trifluoromethyl)-2-pyridinyl]-phenylmethanol is OC(c1ccccc1)c1nc(Cl)c(Cl)cc1C(F)(F)F.
What is the InChIKey of [5,6-dichloro-3-(trifluoromethyl)-2-pyridinyl]-phenylmethanol?
The InChIKey is LUBAVVPUSKNJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NO/c14-9-6-8(13(16,17)18)10(19-12(9)15)11(20)7-4-2-1-3-5-7/h1-6,11,20H.
What are the key properties of [5,6-dichloro-3-(trifluoromethyl)-2-pyridinyl]-phenylmethanol?
[5,6-dichloro-3-(trifluoromethyl)-2-pyridinyl]-phenylmethanol has a molecular weight of 322.11 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-dichloro-3-(trifluoromethyl)-2-pyridinyl]-phenylmethanol is sourced from PubChem (CID 102368273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).