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

C13H10ClF3N2O — CID 106972085

IUPAC[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanol
SMILESCc1ncccc1C(O)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H10ClF3N2O/c1-7-8(3-2-6-18-7)11(20)9-4-5-10(13(15,16)17)19-12(9)14/h2-6,11,20H,1H3
InChIKeySICLBUBRSBWAAU-UHFFFAOYSA-N
MW302.68 g/mol
LogP3.54
Rot. Bonds2

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

[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanol (PubChem CID 106972085) has the molecular formula C13H10ClF3N2O and a molecular weight of 302.68 g/mol. Its IUPAC name is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanol
PubChem CID106972085
Molecular FormulaC13H10ClF3N2O
Molecular Weight302.68 g/mol
Exact Mass302.04
IUPAC Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanol
SMILESCc1ncccc1C(O)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H10ClF3N2O/c1-7-8(3-2-6-18-7)11(20)9-4-5-10(13(15,16)17)19-12(9)14/h2-6,11,20H,1H3
InChIKeySICLBUBRSBWAAU-UHFFFAOYSA-N
XLogP3.54
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 53.54
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

[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dimethylthiophen-3-yl)methanol
CID 106971544
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-fluoro-2-methylphenyl)methanol
CID 106972147
(5-chloro-2-fluorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971706
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 106971848
(4-bromophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971491
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanol
CID 106972099
bis(2-chloro-3-pyridinyl)methanol
CID 14691920
(2-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol
CID 105097054
(2-methylphenyl)-(2-methyl-3-pyridinyl)methanol
CID 105078767
(5-chlorothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971530
(3-chloro-4-iodophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 106971991
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,4-difluorophenyl)methanol
CID 106971514

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanol?
The IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanol (CID 106972085) is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanol.
What is the SMILES notation for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanol?
The canonical SMILES for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanol is Cc1ncccc1C(O)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanol?
The InChIKey is SICLBUBRSBWAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O/c1-7-8(3-2-6-18-7)11(20)9-4-5-10(13(15,16)17)19-12(9)14/h2-6,11,20H,1H3.
What are the key properties of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanol?
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanol has a molecular weight of 302.68 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 106972085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).