3,6-dichloro-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide

C11H14Cl2N2O2 — CID 65107168

IUPAC3,6-dichloro-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide
SMILESCCC(C)(O)CNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-3-11(2,17)6-14-10(16)9-7(12)4-5-8(13)15-9/h4-5,17H,3,6H2,1-2H3,(H,14,16)
InChIKeyTXINPTMOMRMTJL-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.28
Rot. Bonds4

About 3,6-dichloro-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide

3,6-dichloro-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide (PubChem CID 65107168) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide
PubChem CID65107168
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name3,6-dichloro-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide
SMILESCCC(C)(O)CNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-3-11(2,17)6-14-10(16)9-7(12)4-5-8(13)15-9/h4-5,17H,3,6H2,1-2H3,(H,14,16)
InChIKeyTXINPTMOMRMTJL-UHFFFAOYSA-N
XLogP2.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.28
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

3,6-dichloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
CID 65107170
6-amino-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 62159814
3,6-dichloropyridine-2-carbohydrazide
CID 45278328
3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60692450
3,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 32898227
3-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-carboxamide
CID 80642213
2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide
CID 95776247
2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114916
3,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-carboxamide
CID 115606622
3,6-dichloro-N-prop-2-enylpyridine-2-carboxamide
CID 26643522
3,6-dichloro-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 103709249
3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide
CID 55046891

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide (CID 65107168) is 3,6-dichloro-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide is CCC(C)(O)CNC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide?
The InChIKey is TXINPTMOMRMTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-3-11(2,17)6-14-10(16)9-7(12)4-5-8(13)15-9/h4-5,17H,3,6H2,1-2H3,(H,14,16).
What are the key properties of 3,6-dichloro-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide?
3,6-dichloro-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide has a molecular weight of 277.15 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 65107168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).