2-chloro-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]pyridine

C11H11Cl2N3O — CID 115634537

IUPAC2-chloro-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]pyridine
SMILESCc1nn(C)c(Cl)c1COc1cccnc1Cl
InChIInChI=1S/C11H11Cl2N3O/c1-7-8(11(13)16(2)15-7)6-17-9-4-3-5-14-10(9)12/h3-5H,6H2,1-2H3
InChIKeyJMYPQLIZFGKDGD-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.01
Rot. Bonds3

About 2-chloro-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]pyridine

2-chloro-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]pyridine (PubChem CID 115634537) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 2-chloro-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]pyridine.

Molecular Properties

Compound Name2-chloro-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]pyridine
PubChem CID115634537
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name2-chloro-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]pyridine
SMILESCc1nn(C)c(Cl)c1COc1cccnc1Cl
InChIInChI=1S/C11H11Cl2N3O/c1-7-8(11(13)16(2)15-7)6-17-9-4-3-5-14-10(9)12/h3-5H,6H2,1-2H3
InChIKeyJMYPQLIZFGKDGD-UHFFFAOYSA-N
XLogP3.01
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-[[2-(chloromethyl)phenoxy]methyl]-1,3-dimethylpyrazole
CID 113470016
5-chloro-4-[(2,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazole
CID 54920811
3-chloro-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]benzaldehyde
CID 115619393
5-chloro-1,3-dimethyl-4-[(5-methyl-2-propan-2-ylphenoxy)methyl]pyrazole
CID 60796615
2-chloro-3-[(5-chloro-1-methylimidazol-2-yl)methoxy]pyridine
CID 64983187
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methoxybenzaldehyde
CID 115582254
4-[[2-(bromomethyl)-4-methylphenoxy]methyl]-5-chloro-1,3-dimethylpyrazole
CID 113470023
5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115582286
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-5-methoxybenzaldehyde
CID 115582249
1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-fluorophenyl]ethanone
CID 115619394
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-3-ethoxybenzaldehyde
CID 115582251
(1R)-1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-methylphenyl]ethanol
CID 104862104

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]pyridine?
The IUPAC name of 2-chloro-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]pyridine (CID 115634537) is 2-chloro-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]pyridine.
What is the SMILES notation for 2-chloro-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]pyridine?
The canonical SMILES for 2-chloro-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]pyridine is Cc1nn(C)c(Cl)c1COc1cccnc1Cl.
What is the InChIKey of 2-chloro-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]pyridine?
The InChIKey is JMYPQLIZFGKDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c1-7-8(11(13)16(2)15-7)6-17-9-4-3-5-14-10(9)12/h3-5H,6H2,1-2H3.
What are the key properties of 2-chloro-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]pyridine?
2-chloro-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]pyridine has a molecular weight of 272.13 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]pyridine is sourced from PubChem (CID 115634537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).