(3-ethyl-2-pyridinyl)-(5-methoxy-3-pyridinyl)methanol

C14H16N2O2 — CID 82729580

IUPAC(3-ethyl-2-pyridinyl)-(5-methoxy-3-pyridinyl)methanol
SMILESCCc1cccnc1C(O)c1cncc(OC)c1
InChIInChI=1S/C14H16N2O2/c1-3-10-5-4-6-16-13(10)14(17)11-7-12(18-2)9-15-8-11/h4-9,14,17H,3H2,1-2H3
InChIKeyLWKYXPARYCQJSJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.13
Rot. Bonds4

About (3-ethyl-2-pyridinyl)-(5-methoxy-3-pyridinyl)methanol

(3-ethyl-2-pyridinyl)-(5-methoxy-3-pyridinyl)methanol (PubChem CID 82729580) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (3-ethyl-2-pyridinyl)-(5-methoxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(3-ethyl-2-pyridinyl)-(5-methoxy-3-pyridinyl)methanol
PubChem CID82729580
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(3-ethyl-2-pyridinyl)-(5-methoxy-3-pyridinyl)methanol
SMILESCCc1cccnc1C(O)c1cncc(OC)c1
InChIInChI=1S/C14H16N2O2/c1-3-10-5-4-6-16-13(10)14(17)11-7-12(18-2)9-15-8-11/h4-9,14,17H,3H2,1-2H3
InChIKeyLWKYXPARYCQJSJ-UHFFFAOYSA-N
XLogP2.13
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-pyridinyl)-(5-methoxy-3-pyridinyl)methanol?
The IUPAC name of (3-ethyl-2-pyridinyl)-(5-methoxy-3-pyridinyl)methanol (CID 82729580) is (3-ethyl-2-pyridinyl)-(5-methoxy-3-pyridinyl)methanol.
What is the SMILES notation for (3-ethyl-2-pyridinyl)-(5-methoxy-3-pyridinyl)methanol?
The canonical SMILES for (3-ethyl-2-pyridinyl)-(5-methoxy-3-pyridinyl)methanol is CCc1cccnc1C(O)c1cncc(OC)c1.
What is the InChIKey of (3-ethyl-2-pyridinyl)-(5-methoxy-3-pyridinyl)methanol?
The InChIKey is LWKYXPARYCQJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-10-5-4-6-16-13(10)14(17)11-7-12(18-2)9-15-8-11/h4-9,14,17H,3H2,1-2H3.
What are the key properties of (3-ethyl-2-pyridinyl)-(5-methoxy-3-pyridinyl)methanol?
(3-ethyl-2-pyridinyl)-(5-methoxy-3-pyridinyl)methanol has a molecular weight of 244.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-pyridinyl)-(5-methoxy-3-pyridinyl)methanol is sourced from PubChem (CID 82729580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).