2-(3-chloro-5-methoxyanilino)pyridine-3-carbaldehyde

C13H11ClN2O2 — CID 118011803

IUPAC2-(3-chloro-5-methoxyanilino)pyridine-3-carbaldehyde
SMILESCOc1cc(Cl)cc(Nc2ncccc2C=O)c1
InChIInChI=1S/C13H11ClN2O2/c1-18-12-6-10(14)5-11(7-12)16-13-9(8-17)3-2-4-15-13/h2-8H,1H3,(H,15,16)
InChIKeyRURYOLVGLVVICW-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.30
Rot. Bonds4

About 2-(3-chloro-5-methoxyanilino)pyridine-3-carbaldehyde

2-(3-chloro-5-methoxyanilino)pyridine-3-carbaldehyde (PubChem CID 118011803) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-(3-chloro-5-methoxyanilino)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-chloro-5-methoxyanilino)pyridine-3-carbaldehyde
PubChem CID118011803
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name2-(3-chloro-5-methoxyanilino)pyridine-3-carbaldehyde
SMILESCOc1cc(Cl)cc(Nc2ncccc2C=O)c1
InChIInChI=1S/C13H11ClN2O2/c1-18-12-6-10(14)5-11(7-12)16-13-9(8-17)3-2-4-15-13/h2-8H,1H3,(H,15,16)
InChIKeyRURYOLVGLVVICW-UHFFFAOYSA-N
XLogP3.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-5-methoxyphenyl)-3-chloropyrazin-2-amine
CID 82860927
[(3-formyl-2-pyridinyl)amino]-methylazanide;rubidium(1+)
CID 170788982
2-(ethylamino)pyridine-3-carbaldehyde
CID 15561922
3,5-dichloro-N-(3-methoxy-2-pyridinyl)benzenesulfonamide
CID 154807827
2-[(2-chloro-3-pyridinyl)methylidene]-N'-(3-methoxyphenyl)-N-phenylpropanediamide
CID 91969864
2-[4-(1-imidazol-1-yl-2-methylpropyl)anilino]pyridine-3-carbaldehyde
CID 22603061
methyl 2-(3-fluoro-5-methoxyanilino)pyridine-3-carboxylate;methyl 2-fluoropyridine-3-carboxylate
CID 162265180
4-(3-bromo-5-methoxyanilino)-6-chloro-2-methylpyrimidine-5-carbaldehyde
CID 82860476
4-[2-(3,5-dichloroanilino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23535916
(E)-N-(2-acetamido-4,5-dichlorophenyl)-3-[2-(3,4,5-trimethoxyanilino)-3-pyridinyl]prop-2-enamide
CID 168818961
3-bromo-N-(3-bromo-5-methoxyphenyl)-5-chloropyridin-2-amine
CID 114837346
5-chloro-N-(3,5-dimethoxyphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80919912

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-methoxyanilino)pyridine-3-carbaldehyde?
The IUPAC name of 2-(3-chloro-5-methoxyanilino)pyridine-3-carbaldehyde (CID 118011803) is 2-(3-chloro-5-methoxyanilino)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(3-chloro-5-methoxyanilino)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(3-chloro-5-methoxyanilino)pyridine-3-carbaldehyde is COc1cc(Cl)cc(Nc2ncccc2C=O)c1.
What is the InChIKey of 2-(3-chloro-5-methoxyanilino)pyridine-3-carbaldehyde?
The InChIKey is RURYOLVGLVVICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-18-12-6-10(14)5-11(7-12)16-13-9(8-17)3-2-4-15-13/h2-8H,1H3,(H,15,16).
What are the key properties of 2-(3-chloro-5-methoxyanilino)pyridine-3-carbaldehyde?
2-(3-chloro-5-methoxyanilino)pyridine-3-carbaldehyde has a molecular weight of 262.70 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-methoxyanilino)pyridine-3-carbaldehyde is sourced from PubChem (CID 118011803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).