2-[2-(6-methoxy-3-pyridinyl)phenyl]ethanimidamide;hydrochloride

C14H16ClN3O — CID 66622748

IUPAC2-[2-(6-methoxy-3-pyridinyl)phenyl]ethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)Cc1ccccc1-c1ccc(OC)nc1
InChIInChI=1S/C14H15N3O.ClH/c1-18-14-7-6-11(9-17-14)12-5-3-2-4-10(12)8-13(15)16;/h2-7,9H,8H2,1H3,(H3,15,16);1H
InChIKeyACODFOSXKLYNCJ-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.66
Rot. Bonds4

About 2-[2-(6-methoxy-3-pyridinyl)phenyl]ethanimidamide;hydrochloride

2-[2-(6-methoxy-3-pyridinyl)phenyl]ethanimidamide;hydrochloride (PubChem CID 66622748) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-[2-(6-methoxy-3-pyridinyl)phenyl]ethanimidamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(6-methoxy-3-pyridinyl)phenyl]ethanimidamide;hydrochloride
PubChem CID66622748
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name2-[2-(6-methoxy-3-pyridinyl)phenyl]ethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)Cc1ccccc1-c1ccc(OC)nc1
InChIInChI=1S/C14H15N3O.ClH/c1-18-14-7-6-11(9-17-14)12-5-3-2-4-10(12)8-13(15)16;/h2-7,9H,8H2,1H3,(H3,15,16);1H
InChIKeyACODFOSXKLYNCJ-UHFFFAOYSA-N
XLogP2.66
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methoxy-3-pyridinyl)phenyl]ethanimidamide;hydrochloride?
The IUPAC name of 2-[2-(6-methoxy-3-pyridinyl)phenyl]ethanimidamide;hydrochloride (CID 66622748) is 2-[2-(6-methoxy-3-pyridinyl)phenyl]ethanimidamide;hydrochloride.
What is the SMILES notation for 2-[2-(6-methoxy-3-pyridinyl)phenyl]ethanimidamide;hydrochloride?
The canonical SMILES for 2-[2-(6-methoxy-3-pyridinyl)phenyl]ethanimidamide;hydrochloride is Cl.[H]/N=C(\N)Cc1ccccc1-c1ccc(OC)nc1.
What is the InChIKey of 2-[2-(6-methoxy-3-pyridinyl)phenyl]ethanimidamide;hydrochloride?
The InChIKey is ACODFOSXKLYNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O.ClH/c1-18-14-7-6-11(9-17-14)12-5-3-2-4-10(12)8-13(15)16;/h2-7,9H,8H2,1H3,(H3,15,16);1H.
What are the key properties of 2-[2-(6-methoxy-3-pyridinyl)phenyl]ethanimidamide;hydrochloride?
2-[2-(6-methoxy-3-pyridinyl)phenyl]ethanimidamide;hydrochloride has a molecular weight of 277.76 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methoxy-3-pyridinyl)phenyl]ethanimidamide;hydrochloride is sourced from PubChem (CID 66622748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).