(3-chloro-4-methylphenyl)-pyridin-2-ylmethanol

C13H12ClNO — CID 107559511

IUPAC(3-chloro-4-methylphenyl)-pyridin-2-ylmethanol
SMILESCc1ccc(C(O)c2ccccn2)cc1Cl
InChIInChI=1S/C13H12ClNO/c1-9-5-6-10(8-11(9)14)13(16)12-4-2-3-7-15-12/h2-8,13,16H,1H3
InChIKeyCJQMGVPQATTWFK-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.13
Rot. Bonds2

About (3-chloro-4-methylphenyl)-pyridin-2-ylmethanol

(3-chloro-4-methylphenyl)-pyridin-2-ylmethanol (PubChem CID 107559511) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-pyridin-2-ylmethanol.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-pyridin-2-ylmethanol
PubChem CID107559511
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name(3-chloro-4-methylphenyl)-pyridin-2-ylmethanol
SMILESCc1ccc(C(O)c2ccccn2)cc1Cl
InChIInChI=1S/C13H12ClNO/c1-9-5-6-10(8-11(9)14)13(16)12-4-2-3-7-15-12/h2-8,13,16H,1H3
InChIKeyCJQMGVPQATTWFK-UHFFFAOYSA-N
XLogP3.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-pyridin-2-ylmethanol?
The IUPAC name of (3-chloro-4-methylphenyl)-pyridin-2-ylmethanol (CID 107559511) is (3-chloro-4-methylphenyl)-pyridin-2-ylmethanol.
What is the SMILES notation for (3-chloro-4-methylphenyl)-pyridin-2-ylmethanol?
The canonical SMILES for (3-chloro-4-methylphenyl)-pyridin-2-ylmethanol is Cc1ccc(C(O)c2ccccn2)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-pyridin-2-ylmethanol?
The InChIKey is CJQMGVPQATTWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-9-5-6-10(8-11(9)14)13(16)12-4-2-3-7-15-12/h2-8,13,16H,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-pyridin-2-ylmethanol?
(3-chloro-4-methylphenyl)-pyridin-2-ylmethanol has a molecular weight of 233.70 g/mol, XLogP of 3.13, 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)-pyridin-2-ylmethanol is sourced from PubChem (CID 107559511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).