2-[[4-(methylideneamino)phenyl]methyl]pyridine-4-carboxylic acid

C14H12N2O2 — CID 145222326

IUPAC2-[[4-(methylideneamino)phenyl]methyl]pyridine-4-carboxylic acid
SMILESC=Nc1ccc(Cc2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C14H12N2O2/c1-15-12-4-2-10(3-5-12)8-13-9-11(14(17)18)6-7-16-13/h2-7,9H,1,8H2,(H,17,18)
InChIKeyCGUBJKUTISLXDS-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.70
Rot. Bonds4

About 2-[[4-(methylideneamino)phenyl]methyl]pyridine-4-carboxylic acid

2-[[4-(methylideneamino)phenyl]methyl]pyridine-4-carboxylic acid (PubChem CID 145222326) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[[4-(methylideneamino)phenyl]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(methylideneamino)phenyl]methyl]pyridine-4-carboxylic acid
PubChem CID145222326
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-[[4-(methylideneamino)phenyl]methyl]pyridine-4-carboxylic acid
SMILESC=Nc1ccc(Cc2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C14H12N2O2/c1-15-12-4-2-10(3-5-12)8-13-9-11(14(17)18)6-7-16-13/h2-7,9H,1,8H2,(H,17,18)
InChIKeyCGUBJKUTISLXDS-UHFFFAOYSA-N
XLogP2.70
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
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 2-[[4-(methylideneamino)phenyl]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[4-(methylideneamino)phenyl]methyl]pyridine-4-carboxylic acid (CID 145222326) is 2-[[4-(methylideneamino)phenyl]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[4-(methylideneamino)phenyl]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[4-(methylideneamino)phenyl]methyl]pyridine-4-carboxylic acid is C=Nc1ccc(Cc2cc(C(=O)O)ccn2)cc1.
What is the InChIKey of 2-[[4-(methylideneamino)phenyl]methyl]pyridine-4-carboxylic acid?
The InChIKey is CGUBJKUTISLXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-15-12-4-2-10(3-5-12)8-13-9-11(14(17)18)6-7-16-13/h2-7,9H,1,8H2,(H,17,18).
What are the key properties of 2-[[4-(methylideneamino)phenyl]methyl]pyridine-4-carboxylic acid?
2-[[4-(methylideneamino)phenyl]methyl]pyridine-4-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylideneamino)phenyl]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 145222326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).