2-chloro-N-propan-2-yloxypyridine-3-carboxamide

C9H11ClN2O2 — CID 131020974

IUPAC2-chloro-N-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)ONC(=O)c1cccnc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-6(2)14-12-9(13)7-4-3-5-11-8(7)10/h3-6H,1-2H3,(H,12,13)
InChIKeyYQMZBGXIPZVOJG-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.80
Rot. Bonds3

About 2-chloro-N-propan-2-yloxypyridine-3-carboxamide

2-chloro-N-propan-2-yloxypyridine-3-carboxamide (PubChem CID 131020974) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-chloro-N-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-propan-2-yloxypyridine-3-carboxamide
PubChem CID131020974
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name2-chloro-N-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)ONC(=O)c1cccnc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-6(2)14-12-9(13)7-4-3-5-11-8(7)10/h3-6H,1-2H3,(H,12,13)
InChIKeyYQMZBGXIPZVOJG-UHFFFAOYSA-N
XLogP1.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-propan-2-yloxypyridine-3-carboxamide (CID 131020974) is 2-chloro-N-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-propan-2-yloxypyridine-3-carboxamide is CC(C)ONC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is YQMZBGXIPZVOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-6(2)14-12-9(13)7-4-3-5-11-8(7)10/h3-6H,1-2H3,(H,12,13).
What are the key properties of 2-chloro-N-propan-2-yloxypyridine-3-carboxamide?
2-chloro-N-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 214.65 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 131020974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).