(4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methanol

C13H14N2O3 — CID 53493586

IUPAC(4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methanol
SMILESCOc1cc(CO)nc(-c2ccccn2)c1OC
InChIInChI=1S/C13H14N2O3/c1-17-11-7-9(8-16)15-12(13(11)18-2)10-5-3-4-6-14-10/h3-7,16H,8H2,1-2H3
InChIKeyNOWSJBQEOYCSBC-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.65
Rot. Bonds4

About (4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methanol

(4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methanol (PubChem CID 53493586) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is (4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methanol
PubChem CID53493586
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name(4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methanol
SMILESCOc1cc(CO)nc(-c2ccccn2)c1OC
InChIInChI=1S/C13H14N2O3/c1-17-11-7-9(8-16)15-12(13(11)18-2)10-5-3-4-6-14-10/h3-7,16H,8H2,1-2H3
InChIKeyNOWSJBQEOYCSBC-UHFFFAOYSA-N
XLogP1.65
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methanol?
The IUPAC name of (4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methanol (CID 53493586) is (4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methanol.
What is the SMILES notation for (4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methanol?
The canonical SMILES for (4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methanol is COc1cc(CO)nc(-c2ccccn2)c1OC.
What is the InChIKey of (4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methanol?
The InChIKey is NOWSJBQEOYCSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-17-11-7-9(8-16)15-12(13(11)18-2)10-5-3-4-6-14-10/h3-7,16H,8H2,1-2H3.
What are the key properties of (4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methanol?
(4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methanol has a molecular weight of 246.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-6-pyridin-2-yl-2-pyridinyl)methanol is sourced from PubChem (CID 53493586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).