5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde

C19H15ClN2O — CID 58876728

IUPAC5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde
SMILESCc1cccc(Cl)c1-c1ccc(Nc2ccc(C=O)nc2)cc1
InChIInChI=1S/C19H15ClN2O/c1-13-3-2-4-18(20)19(13)14-5-7-15(8-6-14)22-16-9-10-17(12-23)21-11-16/h2-12,22H,1H3
InChIKeyXVSRNYTZSIQHAF-UHFFFAOYSA-N
MW322.80 g/mol
LogP5.27
Rot. Bonds4

About 5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde

5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde (PubChem CID 58876728) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is 5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde
PubChem CID58876728
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC Name5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde
SMILESCc1cccc(Cl)c1-c1ccc(Nc2ccc(C=O)nc2)cc1
InChIInChI=1S/C19H15ClN2O/c1-13-3-2-4-18(20)19(13)14-5-7-15(8-6-14)22-16-9-10-17(12-23)21-11-16/h2-12,22H,1H3
InChIKeyXVSRNYTZSIQHAF-UHFFFAOYSA-N
XLogP5.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.80
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde?
The IUPAC name of 5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde (CID 58876728) is 5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde?
The canonical SMILES for 5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde is Cc1cccc(Cl)c1-c1ccc(Nc2ccc(C=O)nc2)cc1.
What is the InChIKey of 5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde?
The InChIKey is XVSRNYTZSIQHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O/c1-13-3-2-4-18(20)19(13)14-5-7-15(8-6-14)22-16-9-10-17(12-23)21-11-16/h2-12,22H,1H3.
What are the key properties of 5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde?
5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde has a molecular weight of 322.80 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-chloro-6-methylphenyl)anilino]pyridine-2-carbaldehyde is sourced from PubChem (CID 58876728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).