2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide

C10H12Cl2N2O2 — CID 114918592

IUPAC2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
SMILESCC(C)(O)CNC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-10(2,16)5-14-9(15)6-3-8(12)13-4-7(6)11/h3-4,16H,5H2,1-2H3,(H,14,15)
InChIKeyQMBCVJXJCYZMJR-UHFFFAOYSA-N
MW263.12 g/mol
LogP1.89
Rot. Bonds3

About 2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide

2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide (PubChem CID 114918592) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
PubChem CID114918592
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
SMILESCC(C)(O)CNC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-10(2,16)5-14-9(15)6-3-8(12)13-4-7(6)11/h3-4,16H,5H2,1-2H3,(H,14,15)
InChIKeyQMBCVJXJCYZMJR-UHFFFAOYSA-N
XLogP1.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114917186
N-but-2-ynyl-2,5-dichloropyridine-4-carboxamide
CID 114918867
2,5-dichloro-N-[2-(ethylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 114917304
2,5-dichloro-N-pentylpyridine-4-carboxamide
CID 114917111
2,5-dichloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-4-carboxamide
CID 114917844
2,5-dichloro-N-prop-2-enylpyridine-4-carboxamide
CID 114917190
2,5-dichloro-N-(2,2-difluoroethyl)pyridine-4-carboxamide
CID 114918745
2,5-dichloro-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
CID 114918866
2,5-dichloro-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 114917074
2,5-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 105056220
2,4-dichloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65109953
2,5-dichloro-N-(2-methylsulfinylpropyl)pyridine-4-carboxamide
CID 114918892

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide (CID 114918592) is 2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide is CC(C)(O)CNC(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide?
The InChIKey is QMBCVJXJCYZMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-10(2,16)5-14-9(15)6-3-8(12)13-4-7(6)11/h3-4,16H,5H2,1-2H3,(H,14,15).
What are the key properties of 2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide?
2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide has a molecular weight of 263.12 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 114918592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).