N-(2-methoxyphenyl)-1-pyridin-4-ylmethanimine;hydrochloride

C13H13ClN2O — CID 3058419

IUPACN-(2-methoxyphenyl)-1-pyridin-4-ylmethanimine;hydrochloride
SMILESCOc1ccccc1/N=C/c1ccncc1.Cl
InChIInChI=1S/C13H12N2O.ClH/c1-16-13-5-3-2-4-12(13)15-10-11-6-8-14-9-7-11;/h2-10H,1H3;1H/b15-10+;
InChIKeyAWLFUYRENOALFR-GYVLLFFHSA-N
MW248.71 g/mol
LogP3.26
Rot. Bonds3

About N-(2-methoxyphenyl)-1-pyridin-4-ylmethanimine;hydrochloride

N-(2-methoxyphenyl)-1-pyridin-4-ylmethanimine;hydrochloride (PubChem CID 3058419) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-pyridin-4-ylmethanimine;hydrochloride.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-pyridin-4-ylmethanimine;hydrochloride
PubChem CID3058419
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC NameN-(2-methoxyphenyl)-1-pyridin-4-ylmethanimine;hydrochloride
SMILESCOc1ccccc1/N=C/c1ccncc1.Cl
InChIInChI=1S/C13H12N2O.ClH/c1-16-13-5-3-2-4-12(13)15-10-11-6-8-14-9-7-11;/h2-10H,1H3;1H/b15-10+;
InChIKeyAWLFUYRENOALFR-GYVLLFFHSA-N
XLogP3.26
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-pyridin-4-ylmethanimine;hydrochloride?
The IUPAC name of N-(2-methoxyphenyl)-1-pyridin-4-ylmethanimine;hydrochloride (CID 3058419) is N-(2-methoxyphenyl)-1-pyridin-4-ylmethanimine;hydrochloride.
What is the SMILES notation for N-(2-methoxyphenyl)-1-pyridin-4-ylmethanimine;hydrochloride?
The canonical SMILES for N-(2-methoxyphenyl)-1-pyridin-4-ylmethanimine;hydrochloride is COc1ccccc1/N=C/c1ccncc1.Cl.
What is the InChIKey of N-(2-methoxyphenyl)-1-pyridin-4-ylmethanimine;hydrochloride?
The InChIKey is AWLFUYRENOALFR-GYVLLFFHSA-N. The full InChI is InChI=1S/C13H12N2O.ClH/c1-16-13-5-3-2-4-12(13)15-10-11-6-8-14-9-7-11;/h2-10H,1H3;1H/b15-10+;.
What are the key properties of N-(2-methoxyphenyl)-1-pyridin-4-ylmethanimine;hydrochloride?
N-(2-methoxyphenyl)-1-pyridin-4-ylmethanimine;hydrochloride has a molecular weight of 248.71 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-pyridin-4-ylmethanimine;hydrochloride is sourced from PubChem (CID 3058419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).