3,5-dichloro-N-(4-formylphenyl)pyridine-4-carboxamide

C13H8Cl2N2O2 — CID 22601370

IUPAC3,5-dichloro-N-(4-formylphenyl)pyridine-4-carboxamide
SMILESO=Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1
InChIInChI=1S/C13H8Cl2N2O2/c14-10-5-16-6-11(15)12(10)13(19)17-9-3-1-8(7-18)2-4-9/h1-7H,(H,17,19)
InChIKeyLHFLPHSEUIRTDI-UHFFFAOYSA-N
MW295.12 g/mol
LogP3.45
Rot. Bonds3

About 3,5-dichloro-N-(4-formylphenyl)pyridine-4-carboxamide

3,5-dichloro-N-(4-formylphenyl)pyridine-4-carboxamide (PubChem CID 22601370) has the molecular formula C13H8Cl2N2O2 and a molecular weight of 295.12 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-formylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-N-(4-formylphenyl)pyridine-4-carboxamide
PubChem CID22601370
Molecular FormulaC13H8Cl2N2O2
Molecular Weight295.12 g/mol
Exact Mass294.00
IUPAC Name3,5-dichloro-N-(4-formylphenyl)pyridine-4-carboxamide
SMILESO=Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1
InChIInChI=1S/C13H8Cl2N2O2/c14-10-5-16-6-11(15)12(10)13(19)17-9-3-1-8(7-18)2-4-9/h1-7H,(H,17,19)
InChIKeyLHFLPHSEUIRTDI-UHFFFAOYSA-N
XLogP3.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(3,5-dichloropyridine-4-carbonyl)amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoic acid
CID 10482036
ethyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate
CID 141067849
5-chloro-N-(4-formylphenyl)-2-hydroxybenzamide
CID 106912269
2,2-dimethylpropyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate
CID 141067812
3,5-dichloro-N-hydroxypyridine-4-carboxamide;hydrochloride
CID 175522535
3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[(3,5-dichloro-4-pyridinyl)amino]oxypropanoic acid
CID 139922702
2-bromo-4-chloro-N-(4-formylphenyl)benzamide
CID 107987879
cyclopentyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate
CID 141067805
2,3-dihydroxypropyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate
CID 141067803
[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 70130588
2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113247998
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(4-formylphenyl)pyridine-4-carboxamide?
The IUPAC name of 3,5-dichloro-N-(4-formylphenyl)pyridine-4-carboxamide (CID 22601370) is 3,5-dichloro-N-(4-formylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3,5-dichloro-N-(4-formylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 3,5-dichloro-N-(4-formylphenyl)pyridine-4-carboxamide is O=Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1.
What is the InChIKey of 3,5-dichloro-N-(4-formylphenyl)pyridine-4-carboxamide?
The InChIKey is LHFLPHSEUIRTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O2/c14-10-5-16-6-11(15)12(10)13(19)17-9-3-1-8(7-18)2-4-9/h1-7H,(H,17,19).
What are the key properties of 3,5-dichloro-N-(4-formylphenyl)pyridine-4-carboxamide?
3,5-dichloro-N-(4-formylphenyl)pyridine-4-carboxamide has a molecular weight of 295.12 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(4-formylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 22601370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).