3-chloro-2-fluoro-5-(4-methoxybutan-2-yl)pyridine

C10H13ClFNO — CID 123887480

IUPAC3-chloro-2-fluoro-5-(4-methoxybutan-2-yl)pyridine
SMILESCOCCC(C)c1cnc(F)c(Cl)c1
InChIInChI=1S/C10H13ClFNO/c1-7(3-4-14-2)8-5-9(11)10(12)13-6-8/h5-7H,3-4H2,1-2H3
InChIKeyIKCPVWSCWJWBCG-UHFFFAOYSA-N
MW217.67 g/mol
LogP3.01
Rot. Bonds4

About 3-chloro-2-fluoro-5-(4-methoxybutan-2-yl)pyridine

3-chloro-2-fluoro-5-(4-methoxybutan-2-yl)pyridine (PubChem CID 123887480) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 3-chloro-2-fluoro-5-(4-methoxybutan-2-yl)pyridine.

Molecular Properties

Compound Name3-chloro-2-fluoro-5-(4-methoxybutan-2-yl)pyridine
PubChem CID123887480
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name3-chloro-2-fluoro-5-(4-methoxybutan-2-yl)pyridine
SMILESCOCCC(C)c1cnc(F)c(Cl)c1
InChIInChI=1S/C10H13ClFNO/c1-7(3-4-14-2)8-5-9(11)10(12)13-6-8/h5-7H,3-4H2,1-2H3
InChIKeyIKCPVWSCWJWBCG-UHFFFAOYSA-N
XLogP3.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-chloro-2-fluoro-5-(4-methoxybutan-2-yl)pyridine?
The IUPAC name of 3-chloro-2-fluoro-5-(4-methoxybutan-2-yl)pyridine (CID 123887480) is 3-chloro-2-fluoro-5-(4-methoxybutan-2-yl)pyridine.
What is the SMILES notation for 3-chloro-2-fluoro-5-(4-methoxybutan-2-yl)pyridine?
The canonical SMILES for 3-chloro-2-fluoro-5-(4-methoxybutan-2-yl)pyridine is COCCC(C)c1cnc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-2-fluoro-5-(4-methoxybutan-2-yl)pyridine?
The InChIKey is IKCPVWSCWJWBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO/c1-7(3-4-14-2)8-5-9(11)10(12)13-6-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-chloro-2-fluoro-5-(4-methoxybutan-2-yl)pyridine?
3-chloro-2-fluoro-5-(4-methoxybutan-2-yl)pyridine has a molecular weight of 217.67 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-5-(4-methoxybutan-2-yl)pyridine is sourced from PubChem (CID 123887480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).