2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide

C10H12Cl2N2O2 — CID 106841536

IUPAC2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
SMILESO=C(NCCCCO)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C10H12Cl2N2O2/c11-8-5-7(6-9(12)14-8)10(16)13-3-1-2-4-15/h5-6,15H,1-4H2,(H,13,16)
InChIKeyPMMUSSUTIBHHBZ-UHFFFAOYSA-N
MW263.12 g/mol
LogP1.89
Rot. Bonds5

About 2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide

2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide (PubChem CID 106841536) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
PubChem CID106841536
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
SMILESO=C(NCCCCO)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C10H12Cl2N2O2/c11-8-5-7(6-9(12)14-8)10(16)13-3-1-2-4-15/h5-6,15H,1-4H2,(H,13,16)
InChIKeyPMMUSSUTIBHHBZ-UHFFFAOYSA-N
XLogP1.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-6-chloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841535
2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide
CID 110024020
2,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635819
methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
CID 103605118
2,6-dichloro-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 60693650
2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide
CID 43090785
3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide
CID 107342962
3-amino-5-chloro-N-(5-hydroxypentyl)benzamide
CID 107316243
2-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-6-methylpyridine-4-carboxamide
CID 104954990
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
5,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 103918869
3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107318553

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide (CID 106841536) is 2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide is O=C(NCCCCO)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide?
The InChIKey is PMMUSSUTIBHHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c11-8-5-7(6-9(12)14-8)10(16)13-3-1-2-4-15/h5-6,15H,1-4H2,(H,13,16).
What are the key properties of 2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide?
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide has a molecular weight of 263.12 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide is sourced from PubChem (CID 106841536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).