(3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanol

C12H11ClN2O — CID 103443421

IUPAC(3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanol
SMILESCc1cncc(C(O)c2ncccc2Cl)c1
InChIInChI=1S/C12H11ClN2O/c1-8-5-9(7-14-6-8)12(16)11-10(13)3-2-4-15-11/h2-7,12,16H,1H3
InChIKeyXSUFGLGXURVEKE-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.52
Rot. Bonds2

About (3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanol

(3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanol (PubChem CID 103443421) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is (3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanol
PubChem CID103443421
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name(3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanol
SMILESCc1cncc(C(O)c2ncccc2Cl)c1
InChIInChI=1S/C12H11ClN2O/c1-8-5-9(7-14-6-8)12(16)11-10(13)3-2-4-15-11/h2-7,12,16H,1H3
InChIKeyXSUFGLGXURVEKE-UHFFFAOYSA-N
XLogP2.52
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanol?
The IUPAC name of (3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanol (CID 103443421) is (3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanol?
The canonical SMILES for (3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanol is Cc1cncc(C(O)c2ncccc2Cl)c1.
What is the InChIKey of (3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanol?
The InChIKey is XSUFGLGXURVEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-5-9(7-14-6-8)12(16)11-10(13)3-2-4-15-11/h2-7,12,16H,1H3.
What are the key properties of (3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanol?
(3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanol has a molecular weight of 234.69 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 103443421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).