2-chloro-4-methoxy-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyridine

C12H12ClN3O2 — CID 170305651

IUPAC2-chloro-4-methoxy-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyridine
SMILESCOc1cc(Cl)ncc1-c1cnn(C2COC2)c1
InChIInChI=1S/C12H12ClN3O2/c1-17-11-2-12(13)14-4-10(11)8-3-15-16(5-8)9-6-18-7-9/h2-5,9H,6-7H2,1H3
InChIKeyBPLWSKUSBAEYTP-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.18
Rot. Bonds3

About 2-chloro-4-methoxy-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyridine

2-chloro-4-methoxy-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyridine (PubChem CID 170305651) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-chloro-4-methoxy-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name2-chloro-4-methoxy-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyridine
PubChem CID170305651
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name2-chloro-4-methoxy-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyridine
SMILESCOc1cc(Cl)ncc1-c1cnn(C2COC2)c1
InChIInChI=1S/C12H12ClN3O2/c1-17-11-2-12(13)14-4-10(11)8-3-15-16(5-8)9-6-18-7-9/h2-5,9H,6-7H2,1H3
InChIKeyBPLWSKUSBAEYTP-UHFFFAOYSA-N
XLogP2.18
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-5-[4-(difluoromethoxy)-1-methylpyrazol-3-yl]pyridine
CID 53661432
3-[1-(4-Fluorophenyl)pyrazol-4-yl]-4-methoxypyridine
CID 68285126
2-Chloro-5-(1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
CID 153296572
3-(4-Chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
CID 153296578
2-Chloro-5-(4-chloro-1-ethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
CID 153296753
6-Chloro-3-[1-(difluoromethyl)pyrazol-4-yl]-4-methoxypyridazine
CID 164537328
6-Chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine
CID 165117182
2-Chloro-4-[4-(difluoromethoxy)cyclohexyl]oxy-5-[1-(difluoromethyl)pyrazol-4-yl]pyridine
CID 167425726
4-[[2-Chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]cyclohexan-1-ol
CID 167425978
3-[[2-Chloro-5-[1-(difluoromethyl)pyrazol-4-yl]-4-pyridinyl]oxy]cyclopentan-1-ol
CID 167426021
2-Chloro-5-[2-[1-(2-fluoroethyl)pyrazol-4-yl]ethynyl]-4-propan-2-yloxypyridine
CID 167426950
6-Chloro-2-fluoro-3-methoxy-4-(1-methylpyrazol-4-yl)pyridine
CID 169156062

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyridine?
The IUPAC name of 2-chloro-4-methoxy-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyridine (CID 170305651) is 2-chloro-4-methoxy-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 2-chloro-4-methoxy-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyridine?
The canonical SMILES for 2-chloro-4-methoxy-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyridine is COc1cc(Cl)ncc1-c1cnn(C2COC2)c1.
What is the InChIKey of 2-chloro-4-methoxy-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyridine?
The InChIKey is BPLWSKUSBAEYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-17-11-2-12(13)14-4-10(11)8-3-15-16(5-8)9-6-18-7-9/h2-5,9H,6-7H2,1H3.
What are the key properties of 2-chloro-4-methoxy-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyridine?
2-chloro-4-methoxy-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyridine has a molecular weight of 265.70 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 170305651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).