6-chloro-2-fluoro-3-methoxy-4-(1-methylpyrazol-4-yl)pyridine

C10H9ClFN3O — CID 169156062

IUPAC6-chloro-2-fluoro-3-methoxy-4-(1-methylpyrazol-4-yl)pyridine
SMILESCOc1c(-c2cnn(C)c2)cc(Cl)nc1F
InChIInChI=1S/C10H9ClFN3O/c1-15-5-6(4-13-15)7-3-8(11)14-10(12)9(7)16-2/h3-5H,1-2H3
InChIKeyIXERHYWMOUMPCY-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.28
Rot. Bonds2

About 6-chloro-2-fluoro-3-methoxy-4-(1-methylpyrazol-4-yl)pyridine

6-chloro-2-fluoro-3-methoxy-4-(1-methylpyrazol-4-yl)pyridine (PubChem CID 169156062) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-methoxy-4-(1-methylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-methoxy-4-(1-methylpyrazol-4-yl)pyridine
PubChem CID169156062
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name6-chloro-2-fluoro-3-methoxy-4-(1-methylpyrazol-4-yl)pyridine
SMILESCOc1c(-c2cnn(C)c2)cc(Cl)nc1F
InChIInChI=1S/C10H9ClFN3O/c1-15-5-6(4-13-15)7-3-8(11)14-10(12)9(7)16-2/h3-5H,1-2H3
InChIKeyIXERHYWMOUMPCY-UHFFFAOYSA-N
XLogP2.28
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 52.28
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-3-methoxy-4-(1-methylpyrazol-4-yl)pyridine?
The IUPAC name of 6-chloro-2-fluoro-3-methoxy-4-(1-methylpyrazol-4-yl)pyridine (CID 169156062) is 6-chloro-2-fluoro-3-methoxy-4-(1-methylpyrazol-4-yl)pyridine.
What is the SMILES notation for 6-chloro-2-fluoro-3-methoxy-4-(1-methylpyrazol-4-yl)pyridine?
The canonical SMILES for 6-chloro-2-fluoro-3-methoxy-4-(1-methylpyrazol-4-yl)pyridine is COc1c(-c2cnn(C)c2)cc(Cl)nc1F.
What is the InChIKey of 6-chloro-2-fluoro-3-methoxy-4-(1-methylpyrazol-4-yl)pyridine?
The InChIKey is IXERHYWMOUMPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c1-15-5-6(4-13-15)7-3-8(11)14-10(12)9(7)16-2/h3-5H,1-2H3.
What are the key properties of 6-chloro-2-fluoro-3-methoxy-4-(1-methylpyrazol-4-yl)pyridine?
6-chloro-2-fluoro-3-methoxy-4-(1-methylpyrazol-4-yl)pyridine has a molecular weight of 241.65 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-3-methoxy-4-(1-methylpyrazol-4-yl)pyridine is sourced from PubChem (CID 169156062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).