(3-chlorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol

C13H8Cl2F3NO — CID 23284532

IUPAC(3-chlorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1cccc(Cl)c1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H8Cl2F3NO/c14-8-3-1-2-7(6-8)11(20)9-4-5-10(13(16,17)18)19-12(9)15/h1-6,11,20H
InChIKeyNMUGITAWTBBTBV-UHFFFAOYSA-N
MW322.11 g/mol
LogP4.49
Rot. Bonds2

About (3-chlorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol

(3-chlorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 23284532) has the molecular formula C13H8Cl2F3NO and a molecular weight of 322.11 g/mol. Its IUPAC name is (3-chlorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name(3-chlorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID23284532
Molecular FormulaC13H8Cl2F3NO
Molecular Weight322.11 g/mol
Exact Mass320.99
IUPAC Name(3-chlorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOC(c1cccc(Cl)c1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H8Cl2F3NO/c14-8-3-1-2-7(6-8)11(20)9-4-5-10(13(16,17)18)19-12(9)15/h1-6,11,20H
InChIKeyNMUGITAWTBBTBV-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 (3-chlorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of (3-chlorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol (CID 23284532) is (3-chlorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for (3-chlorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for (3-chlorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol is OC(c1cccc(Cl)c1)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of (3-chlorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is NMUGITAWTBBTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NO/c14-8-3-1-2-7(6-8)11(20)9-4-5-10(13(16,17)18)19-12(9)15/h1-6,11,20H.
What are the key properties of (3-chlorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol?
(3-chlorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol 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 (3-chlorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 23284532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).