(3-methylphenyl)-dipyridin-2-ylmethanol

C18H16N2O — CID 102429011

IUPAC(3-methylphenyl)-dipyridin-2-ylmethanol
SMILESCc1cccc(C(O)(c2ccccn2)c2ccccn2)c1
InChIInChI=1S/C18H16N2O/c1-14-7-6-8-15(13-14)18(21,16-9-2-4-11-19-16)17-10-3-5-12-20-17/h2-13,21H,1H3
InChIKeyPBKXPVFRVQQEPR-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.07
Rot. Bonds3

About (3-methylphenyl)-dipyridin-2-ylmethanol

(3-methylphenyl)-dipyridin-2-ylmethanol (PubChem CID 102429011) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is (3-methylphenyl)-dipyridin-2-ylmethanol.

Molecular Properties

Compound Name(3-methylphenyl)-dipyridin-2-ylmethanol
PubChem CID102429011
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name(3-methylphenyl)-dipyridin-2-ylmethanol
SMILESCc1cccc(C(O)(c2ccccn2)c2ccccn2)c1
InChIInChI=1S/C18H16N2O/c1-14-7-6-8-15(13-14)18(21,16-9-2-4-11-19-16)17-10-3-5-12-20-17/h2-13,21H,1H3
InChIKeyPBKXPVFRVQQEPR-UHFFFAOYSA-N
XLogP3.07
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-dipyridin-2-ylmethanol?
The IUPAC name of (3-methylphenyl)-dipyridin-2-ylmethanol (CID 102429011) is (3-methylphenyl)-dipyridin-2-ylmethanol.
What is the SMILES notation for (3-methylphenyl)-dipyridin-2-ylmethanol?
The canonical SMILES for (3-methylphenyl)-dipyridin-2-ylmethanol is Cc1cccc(C(O)(c2ccccn2)c2ccccn2)c1.
What is the InChIKey of (3-methylphenyl)-dipyridin-2-ylmethanol?
The InChIKey is PBKXPVFRVQQEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-14-7-6-8-15(13-14)18(21,16-9-2-4-11-19-16)17-10-3-5-12-20-17/h2-13,21H,1H3.
What are the key properties of (3-methylphenyl)-dipyridin-2-ylmethanol?
(3-methylphenyl)-dipyridin-2-ylmethanol has a molecular weight of 276.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-dipyridin-2-ylmethanol is sourced from PubChem (CID 102429011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).