5-[(2S)-azetidin-2-yl]-6-chloropyridine-3-carboxamide

C9H10ClN3O — CID 131191374

IUPAC5-[(2S)-azetidin-2-yl]-6-chloropyridine-3-carboxamide
SMILESNC(=O)c1cnc(Cl)c([C@@H]2CCN2)c1
InChIInChI=1S/C9H10ClN3O/c10-8-6(7-1-2-12-7)3-5(4-13-8)9(11)14/h3-4,7,12H,1-2H2,(H2,11,14)/t7-/m0/s1
InChIKeyRGMJPHSPWWCYAK-ZETCQYMHSA-N
MW211.65 g/mol
LogP0.87
Rot. Bonds2

About 5-[(2S)-azetidin-2-yl]-6-chloropyridine-3-carboxamide

5-[(2S)-azetidin-2-yl]-6-chloropyridine-3-carboxamide (PubChem CID 131191374) has the molecular formula C9H10ClN3O and a molecular weight of 211.65 g/mol. Its IUPAC name is 5-[(2S)-azetidin-2-yl]-6-chloropyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2S)-azetidin-2-yl]-6-chloropyridine-3-carboxamide
PubChem CID131191374
Molecular FormulaC9H10ClN3O
Molecular Weight211.65 g/mol
Exact Mass211.05
IUPAC Name5-[(2S)-azetidin-2-yl]-6-chloropyridine-3-carboxamide
SMILESNC(=O)c1cnc(Cl)c([C@@H]2CCN2)c1
InChIInChI=1S/C9H10ClN3O/c10-8-6(7-1-2-12-7)3-5(4-13-8)9(11)14/h3-4,7,12H,1-2H2,(H2,11,14)/t7-/m0/s1
InChIKeyRGMJPHSPWWCYAK-ZETCQYMHSA-N
XLogP0.87
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 50.87
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 5-[(2S)-azetidin-2-yl]-6-chloropyridine-3-carboxamide?
The IUPAC name of 5-[(2S)-azetidin-2-yl]-6-chloropyridine-3-carboxamide (CID 131191374) is 5-[(2S)-azetidin-2-yl]-6-chloropyridine-3-carboxamide.
What is the SMILES notation for 5-[(2S)-azetidin-2-yl]-6-chloropyridine-3-carboxamide?
The canonical SMILES for 5-[(2S)-azetidin-2-yl]-6-chloropyridine-3-carboxamide is NC(=O)c1cnc(Cl)c([C@@H]2CCN2)c1.
What is the InChIKey of 5-[(2S)-azetidin-2-yl]-6-chloropyridine-3-carboxamide?
The InChIKey is RGMJPHSPWWCYAK-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10ClN3O/c10-8-6(7-1-2-12-7)3-5(4-13-8)9(11)14/h3-4,7,12H,1-2H2,(H2,11,14)/t7-/m0/s1.
What are the key properties of 5-[(2S)-azetidin-2-yl]-6-chloropyridine-3-carboxamide?
5-[(2S)-azetidin-2-yl]-6-chloropyridine-3-carboxamide has a molecular weight of 211.65 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-azetidin-2-yl]-6-chloropyridine-3-carboxamide is sourced from PubChem (CID 131191374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).