1-(4-methoxyphenyl)-2H-pyridine

C12H13NO — CID 56978152

IUPAC1-(4-methoxyphenyl)-2H-pyridine
SMILESCOc1ccc(N2C=CC=CC2)cc1
InChIInChI=1S/C12H13NO/c1-14-12-7-5-11(6-8-12)13-9-3-2-4-10-13/h2-9H,10H2,1H3
InChIKeyLGDSRUDQZFCEKD-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.59
Rot. Bonds2

About 1-(4-methoxyphenyl)-2H-pyridine

1-(4-methoxyphenyl)-2H-pyridine (PubChem CID 56978152) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2H-pyridine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2H-pyridine
PubChem CID56978152
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1-(4-methoxyphenyl)-2H-pyridine
SMILESCOc1ccc(N2C=CC=CC2)cc1
InChIInChI=1S/C12H13NO/c1-14-12-7-5-11(6-8-12)13-9-3-2-4-10-13/h2-9H,10H2,1H3
InChIKeyLGDSRUDQZFCEKD-UHFFFAOYSA-N
XLogP2.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2H-pyridine?
The IUPAC name of 1-(4-methoxyphenyl)-2H-pyridine (CID 56978152) is 1-(4-methoxyphenyl)-2H-pyridine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2H-pyridine?
The canonical SMILES for 1-(4-methoxyphenyl)-2H-pyridine is COc1ccc(N2C=CC=CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2H-pyridine?
The InChIKey is LGDSRUDQZFCEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-14-12-7-5-11(6-8-12)13-9-3-2-4-10-13/h2-9H,10H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2H-pyridine?
1-(4-methoxyphenyl)-2H-pyridine has a molecular weight of 187.24 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2H-pyridine is sourced from PubChem (CID 56978152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).