5-chloro-2-methoxy-4-(1H-pyrazol-5-yl)pyridine

C9H8ClN3O — CID 175726727

IUPAC5-chloro-2-methoxy-4-(1H-pyrazol-5-yl)pyridine
SMILESCOc1cc(-c2ccn[nH]2)c(Cl)cn1
InChIInChI=1S/C9H8ClN3O/c1-14-9-4-6(7(10)5-11-9)8-2-3-12-13-8/h2-5H,1H3,(H,12,13)
InChIKeyLWSVILACCVCJCT-UHFFFAOYSA-N
MW209.64 g/mol
LogP2.13
Rot. Bonds2

About 5-chloro-2-methoxy-4-(1H-pyrazol-5-yl)pyridine

5-chloro-2-methoxy-4-(1H-pyrazol-5-yl)pyridine (PubChem CID 175726727) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-(1H-pyrazol-5-yl)pyridine.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-(1H-pyrazol-5-yl)pyridine
PubChem CID175726727
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name5-chloro-2-methoxy-4-(1H-pyrazol-5-yl)pyridine
SMILESCOc1cc(-c2ccn[nH]2)c(Cl)cn1
InChIInChI=1S/C9H8ClN3O/c1-14-9-4-6(7(10)5-11-9)8-2-3-12-13-8/h2-5H,1H3,(H,12,13)
InChIKeyLWSVILACCVCJCT-UHFFFAOYSA-N
XLogP2.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-(1H-pyrazol-5-yl)pyridine?
The IUPAC name of 5-chloro-2-methoxy-4-(1H-pyrazol-5-yl)pyridine (CID 175726727) is 5-chloro-2-methoxy-4-(1H-pyrazol-5-yl)pyridine.
What is the SMILES notation for 5-chloro-2-methoxy-4-(1H-pyrazol-5-yl)pyridine?
The canonical SMILES for 5-chloro-2-methoxy-4-(1H-pyrazol-5-yl)pyridine is COc1cc(-c2ccn[nH]2)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-methoxy-4-(1H-pyrazol-5-yl)pyridine?
The InChIKey is LWSVILACCVCJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c1-14-9-4-6(7(10)5-11-9)8-2-3-12-13-8/h2-5H,1H3,(H,12,13).
What are the key properties of 5-chloro-2-methoxy-4-(1H-pyrazol-5-yl)pyridine?
5-chloro-2-methoxy-4-(1H-pyrazol-5-yl)pyridine has a molecular weight of 209.64 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-(1H-pyrazol-5-yl)pyridine is sourced from PubChem (CID 175726727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).