3-(6-chloro-3-pyridinyl)-4-methyl-1,2-oxazole

C9H7ClN2O — CID 142630676

IUPAC3-(6-chloro-3-pyridinyl)-4-methyl-1,2-oxazole
SMILESCc1conc1-c1ccc(Cl)nc1
InChIInChI=1S/C9H7ClN2O/c1-6-5-13-12-9(6)7-2-3-8(10)11-4-7/h2-5H,1H3
InChIKeySOXWGRFKILZJAH-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.70
Rot. Bonds1

About 3-(6-chloro-3-pyridinyl)-4-methyl-1,2-oxazole

3-(6-chloro-3-pyridinyl)-4-methyl-1,2-oxazole (PubChem CID 142630676) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-4-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-4-methyl-1,2-oxazole
PubChem CID142630676
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name3-(6-chloro-3-pyridinyl)-4-methyl-1,2-oxazole
SMILESCc1conc1-c1ccc(Cl)nc1
InChIInChI=1S/C9H7ClN2O/c1-6-5-13-12-9(6)7-2-3-8(10)11-4-7/h2-5H,1H3
InChIKeySOXWGRFKILZJAH-UHFFFAOYSA-N
XLogP2.70
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-bromo-3-methylphenyl)-2-chloropyridine
CID 121012233
ethyl 3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 134588402
5-(6-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole
CID 97057988
2-(6-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole
CID 135395773
2-chloro-5-(3-fluoro-2-pyridinyl)pyridine
CID 141353817
5-(6-chloro-3-pyridinyl)-1,3-oxazole
CID 2766284
3-(6-chloro-3-pyridinyl)-6-methyl-4-(2,4,6-trifluorophenyl)pyridazine
CID 154394391
2-chloro-5-(4-ethoxyphenyl)pyridine
CID 19765548
2-chloro-4-(6-chloro-3-pyridinyl)-1,3-thiazole
CID 173285158
6-chloro-3-(6-chloro-3-pyridinyl)-1H-pyridazin-4-one
CID 139384119
5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole
CID 20594130
azane;5-(6-chloro-3-pyridinyl)-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine
CID 87999920

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-pyridinyl)-4-methyl-1,2-oxazole?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-4-methyl-1,2-oxazole (CID 142630676) is 3-(6-chloro-3-pyridinyl)-4-methyl-1,2-oxazole.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-4-methyl-1,2-oxazole?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-4-methyl-1,2-oxazole is Cc1conc1-c1ccc(Cl)nc1.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-4-methyl-1,2-oxazole?
The InChIKey is SOXWGRFKILZJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-6-5-13-12-9(6)7-2-3-8(10)11-4-7/h2-5H,1H3.
What are the key properties of 3-(6-chloro-3-pyridinyl)-4-methyl-1,2-oxazole?
3-(6-chloro-3-pyridinyl)-4-methyl-1,2-oxazole has a molecular weight of 194.62 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)-4-methyl-1,2-oxazole is sourced from PubChem (CID 142630676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).