2-chloro-4-[4,5-dimethyl-2-(oxan-4-yl)pyrazol-3-yl]oxypyridine

C15H18ClN3O2 — CID 164715787

IUPAC2-chloro-4-[4,5-dimethyl-2-(oxan-4-yl)pyrazol-3-yl]oxypyridine
SMILESCc1nn(C2CCOCC2)c(Oc2ccnc(Cl)c2)c1C
InChIInChI=1S/C15H18ClN3O2/c1-10-11(2)18-19(12-4-7-20-8-5-12)15(10)21-13-3-6-17-14(16)9-13/h3,6,9,12H,4-5,7-8H2,1-2H3
InChIKeyWNFISSXONSWABJ-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.69
Rot. Bonds3

About 2-chloro-4-[4,5-dimethyl-2-(oxan-4-yl)pyrazol-3-yl]oxypyridine

2-chloro-4-[4,5-dimethyl-2-(oxan-4-yl)pyrazol-3-yl]oxypyridine (PubChem CID 164715787) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-chloro-4-[4,5-dimethyl-2-(oxan-4-yl)pyrazol-3-yl]oxypyridine.

Molecular Properties

Compound Name2-chloro-4-[4,5-dimethyl-2-(oxan-4-yl)pyrazol-3-yl]oxypyridine
PubChem CID164715787
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-chloro-4-[4,5-dimethyl-2-(oxan-4-yl)pyrazol-3-yl]oxypyridine
SMILESCc1nn(C2CCOCC2)c(Oc2ccnc(Cl)c2)c1C
InChIInChI=1S/C15H18ClN3O2/c1-10-11(2)18-19(12-4-7-20-8-5-12)15(10)21-13-3-6-17-14(16)9-13/h3,6,9,12H,4-5,7-8H2,1-2H3
InChIKeyWNFISSXONSWABJ-UHFFFAOYSA-N
XLogP3.69
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.69
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

5-[(2-chloro-4-pyridinyl)oxy]-2,3-dimethyl-6-(oxan-4-yl)pyridine
CID 154963843
2-chloro-4-[1-(2,2-difluoroethyl)-3-(oxan-4-yl)pyrazol-4-yl]oxypyridine
CID 121249435
2-chloro-4-[3-cyclopropyl-1-[(2S,6R)-2,6-dimethyloxan-4-yl]pyrazol-5-yl]oxypyridine
CID 155765610
2-[4-[[4-[5-methyl-2-(oxan-4-yl)pyrazol-3-yl]oxy-2-pyridinyl]amino]-2-pyridinyl]propan-2-ol
CID 155450803
5-chloro-3-ethyl-4-methyl-1-(oxan-4-yl)pyrazole
CID 164658469
2-chloro-4-(3-chloro-5-methoxyphenoxy)pyridine
CID 71512689
2-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)oxy]pyridine
CID 155765634
2-chloro-4-(1-cyclopropyl-3-phenylpyrazol-4-yl)oxypyridine
CID 147277185
3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole
CID 141129709
5-chloro-1-(oxan-4-yl)pyrazolo[3,4-c]pyridine
CID 121416628
6-chloro-1-(oxan-4-yl)pyrazolo[4,3-c]pyridine
CID 166460362
2-chloro-N-methyl-N-(oxan-4-yl)pyridine-4-carboxamide
CID 43611005

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4,5-dimethyl-2-(oxan-4-yl)pyrazol-3-yl]oxypyridine?
The IUPAC name of 2-chloro-4-[4,5-dimethyl-2-(oxan-4-yl)pyrazol-3-yl]oxypyridine (CID 164715787) is 2-chloro-4-[4,5-dimethyl-2-(oxan-4-yl)pyrazol-3-yl]oxypyridine.
What is the SMILES notation for 2-chloro-4-[4,5-dimethyl-2-(oxan-4-yl)pyrazol-3-yl]oxypyridine?
The canonical SMILES for 2-chloro-4-[4,5-dimethyl-2-(oxan-4-yl)pyrazol-3-yl]oxypyridine is Cc1nn(C2CCOCC2)c(Oc2ccnc(Cl)c2)c1C.
What is the InChIKey of 2-chloro-4-[4,5-dimethyl-2-(oxan-4-yl)pyrazol-3-yl]oxypyridine?
The InChIKey is WNFISSXONSWABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-10-11(2)18-19(12-4-7-20-8-5-12)15(10)21-13-3-6-17-14(16)9-13/h3,6,9,12H,4-5,7-8H2,1-2H3.
What are the key properties of 2-chloro-4-[4,5-dimethyl-2-(oxan-4-yl)pyrazol-3-yl]oxypyridine?
2-chloro-4-[4,5-dimethyl-2-(oxan-4-yl)pyrazol-3-yl]oxypyridine has a molecular weight of 307.78 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4,5-dimethyl-2-(oxan-4-yl)pyrazol-3-yl]oxypyridine is sourced from PubChem (CID 164715787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).