5-(3-methoxybenzenecarboximidoyl)pyridine-2-carbonitrile

C14H11N3O — CID 175145195

IUPAC5-(3-methoxybenzenecarboximidoyl)pyridine-2-carbonitrile
SMILES[H]/N=C(\c1ccc(C#N)nc1)c1cccc(OC)c1
InChIInChI=1S/C14H11N3O/c1-18-13-4-2-3-10(7-13)14(16)11-5-6-12(8-15)17-9-11/h2-7,9,16H,1H3/b16-14-
InChIKeyPCCQOHSLJOITEJ-PEZBUJJGSA-N
MW237.26 g/mol
LogP2.38
Rot. Bonds3

About 5-(3-methoxybenzenecarboximidoyl)pyridine-2-carbonitrile

5-(3-methoxybenzenecarboximidoyl)pyridine-2-carbonitrile (PubChem CID 175145195) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-(3-methoxybenzenecarboximidoyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-methoxybenzenecarboximidoyl)pyridine-2-carbonitrile
PubChem CID175145195
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name5-(3-methoxybenzenecarboximidoyl)pyridine-2-carbonitrile
SMILES[H]/N=C(\c1ccc(C#N)nc1)c1cccc(OC)c1
InChIInChI=1S/C14H11N3O/c1-18-13-4-2-3-10(7-13)14(16)11-5-6-12(8-15)17-9-11/h2-7,9,16H,1H3/b16-14-
InChIKeyPCCQOHSLJOITEJ-PEZBUJJGSA-N
XLogP2.38
TPSA69.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-methoxybenzenecarboximidoyl)benzonitrile
CID 175142380
(4-methoxyphenyl)-phenylmethanimine
CID 10856767
6-cyano-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 66589912
3-methoxy-N,N-dimethylbenzenecarboximidamide
CID 63182019
5-[4-(3-methoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 145184725
5-[4-(3-methoxybenzoyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133290837
5-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 129482001
methyl 3-(6-cyano-3-pyridinyl)benzoate
CID 69487036
(6-methoxy-3-pyridinyl)-(4-methylphenyl)methanimine
CID 142977847
5-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 115487418
4-(3-methoxy-N-methylanilino)pyridine-2-carbonitrile
CID 62935538
4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61299239

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxybenzenecarboximidoyl)pyridine-2-carbonitrile?
The IUPAC name of 5-(3-methoxybenzenecarboximidoyl)pyridine-2-carbonitrile (CID 175145195) is 5-(3-methoxybenzenecarboximidoyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(3-methoxybenzenecarboximidoyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(3-methoxybenzenecarboximidoyl)pyridine-2-carbonitrile is [H]/N=C(\c1ccc(C#N)nc1)c1cccc(OC)c1.
What is the InChIKey of 5-(3-methoxybenzenecarboximidoyl)pyridine-2-carbonitrile?
The InChIKey is PCCQOHSLJOITEJ-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H11N3O/c1-18-13-4-2-3-10(7-13)14(16)11-5-6-12(8-15)17-9-11/h2-7,9,16H,1H3/b16-14-.
What are the key properties of 5-(3-methoxybenzenecarboximidoyl)pyridine-2-carbonitrile?
5-(3-methoxybenzenecarboximidoyl)pyridine-2-carbonitrile has a molecular weight of 237.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxybenzenecarboximidoyl)pyridine-2-carbonitrile is sourced from PubChem (CID 175145195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).