5-chloro-N-(1-chloro-2-methylpropan-2-yl)pyridine-2-carboxamide

C10H12Cl2N2O — CID 114295004

IUPAC5-chloro-N-(1-chloro-2-methylpropan-2-yl)pyridine-2-carboxamide
SMILESCC(C)(CCl)NC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C10H12Cl2N2O/c1-10(2,6-11)14-9(15)8-4-3-7(12)5-13-8/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyWUHIETGEXSYTBT-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.48
Rot. Bonds3

About 5-chloro-N-(1-chloro-2-methylpropan-2-yl)pyridine-2-carboxamide

5-chloro-N-(1-chloro-2-methylpropan-2-yl)pyridine-2-carboxamide (PubChem CID 114295004) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 5-chloro-N-(1-chloro-2-methylpropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-chloro-2-methylpropan-2-yl)pyridine-2-carboxamide
PubChem CID114295004
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name5-chloro-N-(1-chloro-2-methylpropan-2-yl)pyridine-2-carboxamide
SMILESCC(C)(CCl)NC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C10H12Cl2N2O/c1-10(2,6-11)14-9(15)8-4-3-7(12)5-13-8/h3-5H,6H2,1-2H3,(H,14,15)
InChIKeyWUHIETGEXSYTBT-UHFFFAOYSA-N
XLogP2.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-chloropyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 64671499
2-[(5-chloropyridine-2-carbonyl)amino]-2-methylbutanoic acid
CID 79793461
N-(1-chloro-2-methylpropan-2-yl)-6-methylpyridine-2-carboxamide
CID 114295056
2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide
CID 114295303
6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43427297
5-amino-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 81319675
1-(5-chloro-2-pyridinyl)butane-1,2-dione
CID 177314463
5-chloro-N-(2-methylpentan-2-yl)pyrazine-2-carboxamide
CID 107372186
methyl 5-chloropyridine-2-carboxylate
CID 11298216
N-(5-chloro-2-pyridinyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104640067
N-(1-chloro-2-methylpropan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82816226
N-(1-chloro-2-methylpropan-2-yl)-2,6-dihydroxybenzamide
CID 107691058

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-chloro-2-methylpropan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-chloro-2-methylpropan-2-yl)pyridine-2-carboxamide (CID 114295004) is 5-chloro-N-(1-chloro-2-methylpropan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-chloro-2-methylpropan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-chloro-2-methylpropan-2-yl)pyridine-2-carboxamide is CC(C)(CCl)NC(=O)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-(1-chloro-2-methylpropan-2-yl)pyridine-2-carboxamide?
The InChIKey is WUHIETGEXSYTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-10(2,6-11)14-9(15)8-4-3-7(12)5-13-8/h3-5H,6H2,1-2H3,(H,14,15).
What are the key properties of 5-chloro-N-(1-chloro-2-methylpropan-2-yl)pyridine-2-carboxamide?
5-chloro-N-(1-chloro-2-methylpropan-2-yl)pyridine-2-carboxamide has a molecular weight of 247.12 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-chloro-2-methylpropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 114295004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).