(5-methyl-3-pyridinyl)-pyridin-4-ylmethanol

C12H12N2O — CID 115373622

IUPAC(5-methyl-3-pyridinyl)-pyridin-4-ylmethanol
SMILESCc1cncc(C(O)c2ccncc2)c1
InChIInChI=1S/C12H12N2O/c1-9-6-11(8-14-7-9)12(15)10-2-4-13-5-3-10/h2-8,12,15H,1H3
InChIKeyVTHHOJDGELPLEO-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.87
Rot. Bonds2

About (5-methyl-3-pyridinyl)-pyridin-4-ylmethanol

(5-methyl-3-pyridinyl)-pyridin-4-ylmethanol (PubChem CID 115373622) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)-pyridin-4-ylmethanol.

Molecular Properties

Compound Name(5-methyl-3-pyridinyl)-pyridin-4-ylmethanol
PubChem CID115373622
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name(5-methyl-3-pyridinyl)-pyridin-4-ylmethanol
SMILESCc1cncc(C(O)c2ccncc2)c1
InChIInChI=1S/C12H12N2O/c1-9-6-11(8-14-7-9)12(15)10-2-4-13-5-3-10/h2-8,12,15H,1H3
InChIKeyVTHHOJDGELPLEO-UHFFFAOYSA-N
XLogP1.87
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol
CID 115373656
(4-methylphenyl)-pyridin-4-ylmethanol
CID 3383504
(5-methyl-3-pyridinyl)-pyridin-2-ylmethanol
CID 115373637
(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanol
CID 115373634
furan-2-yl-(5-methyl-3-pyridinyl)methanol
CID 115373621
(3-chloro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanol
CID 103443421
(2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanol
CID 115373623
(2-chlorofuran-3-yl)-(5-methyl-3-pyridinyl)methanol
CID 106693944
(5-methyl-3-pyridinyl)-(2-phenylpyrazol-3-yl)methanol
CID 107332331
(2-chloro-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanol
CID 105397694
(2,5-dimethylfuran-3-yl)-(5-methyl-3-pyridinyl)methanol
CID 115827884
(5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105096587

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)-pyridin-4-ylmethanol?
The IUPAC name of (5-methyl-3-pyridinyl)-pyridin-4-ylmethanol (CID 115373622) is (5-methyl-3-pyridinyl)-pyridin-4-ylmethanol.
What is the SMILES notation for (5-methyl-3-pyridinyl)-pyridin-4-ylmethanol?
The canonical SMILES for (5-methyl-3-pyridinyl)-pyridin-4-ylmethanol is Cc1cncc(C(O)c2ccncc2)c1.
What is the InChIKey of (5-methyl-3-pyridinyl)-pyridin-4-ylmethanol?
The InChIKey is VTHHOJDGELPLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-6-11(8-14-7-9)12(15)10-2-4-13-5-3-10/h2-8,12,15H,1H3.
What are the key properties of (5-methyl-3-pyridinyl)-pyridin-4-ylmethanol?
(5-methyl-3-pyridinyl)-pyridin-4-ylmethanol has a molecular weight of 200.24 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-pyridinyl)-pyridin-4-ylmethanol is sourced from PubChem (CID 115373622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).