3,6-dichloro-N-(3-hydroxycyclohexyl)pyridine-2-carboxamide

C12H14Cl2N2O2 — CID 54898284

IUPAC3,6-dichloro-N-(3-hydroxycyclohexyl)pyridine-2-carboxamide
SMILESO=C(NC1CCCC(O)C1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c13-9-4-5-10(14)16-11(9)12(18)15-7-2-1-3-8(17)6-7/h4-5,7-8,17H,1-3,6H2,(H,15,18)
InChIKeyBSLQTVNLQQXMNL-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.42
Rot. Bonds2

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

3,6-dichloro-N-(3-hydroxycyclohexyl)pyridine-2-carboxamide (PubChem CID 54898284) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is 3,6-dichloro-N-(3-hydroxycyclohexyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(3-hydroxycyclohexyl)pyridine-2-carboxamide
PubChem CID54898284
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name3,6-dichloro-N-(3-hydroxycyclohexyl)pyridine-2-carboxamide
SMILESO=C(NC1CCCC(O)C1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c13-9-4-5-10(14)16-11(9)12(18)15-7-2-1-3-8(17)6-7/h4-5,7-8,17H,1-3,6H2,(H,15,18)
InChIKeyBSLQTVNLQQXMNL-UHFFFAOYSA-N
XLogP2.42
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.42
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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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(3-hydroxycyclohexyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(3-hydroxycyclohexyl)pyridine-2-carboxamide (CID 54898284) is 3,6-dichloro-N-(3-hydroxycyclohexyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(3-hydroxycyclohexyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(3-hydroxycyclohexyl)pyridine-2-carboxamide is O=C(NC1CCCC(O)C1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(3-hydroxycyclohexyl)pyridine-2-carboxamide?
The InChIKey is BSLQTVNLQQXMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c13-9-4-5-10(14)16-11(9)12(18)15-7-2-1-3-8(17)6-7/h4-5,7-8,17H,1-3,6H2,(H,15,18).
What are the key properties of 3,6-dichloro-N-(3-hydroxycyclohexyl)pyridine-2-carboxamide?
3,6-dichloro-N-(3-hydroxycyclohexyl)pyridine-2-carboxamide has a molecular weight of 289.16 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(3-hydroxycyclohexyl)pyridine-2-carboxamide is sourced from PubChem (CID 54898284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).