(3-chloro-4-methylphenyl)-(3-chloro-2-pyridinyl)methanol

C13H11Cl2NO — CID 107560175

IUPAC(3-chloro-4-methylphenyl)-(3-chloro-2-pyridinyl)methanol
SMILESCc1ccc(C(O)c2ncccc2Cl)cc1Cl
InChIInChI=1S/C13H11Cl2NO/c1-8-4-5-9(7-11(8)15)13(17)12-10(14)3-2-6-16-12/h2-7,13,17H,1H3
InChIKeySDMYMWRPJGKQEX-UHFFFAOYSA-N
MW268.14 g/mol
LogP3.78
Rot. Bonds2

About (3-chloro-4-methylphenyl)-(3-chloro-2-pyridinyl)methanol

(3-chloro-4-methylphenyl)-(3-chloro-2-pyridinyl)methanol (PubChem CID 107560175) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(3-chloro-2-pyridinyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(3-chloro-2-pyridinyl)methanol
PubChem CID107560175
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name(3-chloro-4-methylphenyl)-(3-chloro-2-pyridinyl)methanol
SMILESCc1ccc(C(O)c2ncccc2Cl)cc1Cl
InChIInChI=1S/C13H11Cl2NO/c1-8-4-5-9(7-11(8)15)13(17)12-10(14)3-2-6-16-12/h2-7,13,17H,1H3
InChIKeySDMYMWRPJGKQEX-UHFFFAOYSA-N
XLogP3.78
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanol
CID 103443403
(3-chloro-4-methylphenyl)-quinolin-7-ylmethanol
CID 115827163
(3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanol
CID 103443421
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 107560238
1-(3-chloro-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanol
CID 103443569
(3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanol
CID 63195009
(3-chloro-2-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103443462
(4-fluoro-3-methylphenyl)-(3-methyl-2-pyridinyl)methanol
CID 62789628
[(3-bromo-2-pyridinyl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 107562462
(4-bromo-3-chlorophenyl)-(3-chloro-4-methylphenyl)methanol
CID 107562230
(3-chloro-2-pyridinyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 103443499
(3-chloro-2-pyridinyl)-(2-methylthiophen-3-yl)methanol
CID 103443385

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(3-chloro-2-pyridinyl)methanol?
The IUPAC name of (3-chloro-4-methylphenyl)-(3-chloro-2-pyridinyl)methanol (CID 107560175) is (3-chloro-4-methylphenyl)-(3-chloro-2-pyridinyl)methanol.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(3-chloro-2-pyridinyl)methanol?
The canonical SMILES for (3-chloro-4-methylphenyl)-(3-chloro-2-pyridinyl)methanol is Cc1ccc(C(O)c2ncccc2Cl)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(3-chloro-2-pyridinyl)methanol?
The InChIKey is SDMYMWRPJGKQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c1-8-4-5-9(7-11(8)15)13(17)12-10(14)3-2-6-16-12/h2-7,13,17H,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-(3-chloro-2-pyridinyl)methanol?
(3-chloro-4-methylphenyl)-(3-chloro-2-pyridinyl)methanol has a molecular weight of 268.14 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(3-chloro-2-pyridinyl)methanol is sourced from PubChem (CID 107560175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).