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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methylphenyl)-1-(oxetan-3-yl)pyrazole
CID 167820480
tert-butyl N-[(3S)-1-[2-chloro-5-[1-(oxetan-3-yl)pyrazol-4-yl]-4-pyridinyl]piperidin-3-yl]carbamate
CID 172626579
10-methoxy-3-methyl-9-[1-(oxetan-3-yl)pyrazol-4-yl]-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one
CID 158860362
6-chloro-4-[2-methoxy-3-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]anilino]pyridine-3-carboxamide
CID 170966081
4-chloro-7-methoxy-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoline
CID 171679503
2-chloro-5-fluoro-4-[1-(oxetan-3-yl)pyrazol-4-yl]pyrimidine
CID 171627470
1-[1-[2-chloro-5-[1-(oxan-4-yl)pyrazol-4-yl]-4-pyridinyl]piperidin-4-yl]ethanol
CID 172626207
2-chloro-4-methoxy-5-pyridin-3-ylpyridine
CID 175166261
4-methoxy-3-[1-(oxetan-3-yl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine
CID 159386061
1-[4-[6-chloro-4-(trideuteriomethoxy)-3-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 175947839
7-chloro-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-(oxetan-3-yl)-1,6-naphthyridin-2-one
CID 146474786
2-chloro-4-methoxy-5-(1,2,3-trimethyl-3H-pyrazol-5-yl)pyridine
CID 144864662

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).