2-chloro-6-(4-hydroxyanilino)pyridine-4-carbaldehyde

C12H9ClN2O2 — CID 115046372

IUPAC2-chloro-6-(4-hydroxyanilino)pyridine-4-carbaldehyde
SMILESO=Cc1cc(Cl)nc(Nc2ccc(O)cc2)c1
InChIInChI=1S/C12H9ClN2O2/c13-11-5-8(7-16)6-12(15-11)14-9-1-3-10(17)4-2-9/h1-7,17H,(H,14,15)
InChIKeyOMDLZOWVSPSXLH-UHFFFAOYSA-N
MW248.67 g/mol
LogP3.00
Rot. Bonds3

About 2-chloro-6-(4-hydroxyanilino)pyridine-4-carbaldehyde

2-chloro-6-(4-hydroxyanilino)pyridine-4-carbaldehyde (PubChem CID 115046372) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is 2-chloro-6-(4-hydroxyanilino)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6-(4-hydroxyanilino)pyridine-4-carbaldehyde
PubChem CID115046372
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name2-chloro-6-(4-hydroxyanilino)pyridine-4-carbaldehyde
SMILESO=Cc1cc(Cl)nc(Nc2ccc(O)cc2)c1
InChIInChI=1S/C12H9ClN2O2/c13-11-5-8(7-16)6-12(15-11)14-9-1-3-10(17)4-2-9/h1-7,17H,(H,14,15)
InChIKeyOMDLZOWVSPSXLH-UHFFFAOYSA-N
XLogP3.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(cyclobutylamino)pyridine-4-carbaldehyde
CID 115027180
4-[(6-chloropyrimidin-4-yl)amino]phenol
CID 18009128
N-[4-[(2,6-dichloropyrimidin-4-yl)amino]phenyl]acetamide
CID 10613916
2-chloro-6-(2,5-dichlorophenyl)pyridine-4-carbaldehyde
CID 119017180
2-(4-hydroxyanilino)-1,3-thiazole-4-carbaldehyde
CID 144776560
2-chloro-6-(4-methylanilino)pyridine-4-carbonitrile
CID 83073400
2-anilinopyridine-4-carbaldehyde
CID 115021384
2,6-dichloro-4-(4-hydroxyanilino)phenol
CID 622906
2-chloro-6-(dimethylamino)pyridine-4-carbaldehyde
CID 115016813
2-chloro-6-(3-chloro-4-methylanilino)pyridine-4-carboxylic acid
CID 43343601
2-chloro-6-(3,4-difluoroanilino)pyridine-4-carboxylic acid
CID 43343649
[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenyl]methanol
CID 86004324

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-hydroxyanilino)pyridine-4-carbaldehyde?
The IUPAC name of 2-chloro-6-(4-hydroxyanilino)pyridine-4-carbaldehyde (CID 115046372) is 2-chloro-6-(4-hydroxyanilino)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-chloro-6-(4-hydroxyanilino)pyridine-4-carbaldehyde?
The canonical SMILES for 2-chloro-6-(4-hydroxyanilino)pyridine-4-carbaldehyde is O=Cc1cc(Cl)nc(Nc2ccc(O)cc2)c1.
What is the InChIKey of 2-chloro-6-(4-hydroxyanilino)pyridine-4-carbaldehyde?
The InChIKey is OMDLZOWVSPSXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c13-11-5-8(7-16)6-12(15-11)14-9-1-3-10(17)4-2-9/h1-7,17H,(H,14,15).
What are the key properties of 2-chloro-6-(4-hydroxyanilino)pyridine-4-carbaldehyde?
2-chloro-6-(4-hydroxyanilino)pyridine-4-carbaldehyde has a molecular weight of 248.67 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-hydroxyanilino)pyridine-4-carbaldehyde is sourced from PubChem (CID 115046372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).