2-chloro-3-fluoro-4-propan-2-ylpyridine

C8H9ClFN — CID 59849657

IUPAC2-chloro-3-fluoro-4-propan-2-ylpyridine
SMILESCC(C)c1ccnc(Cl)c1F
InChIInChI=1S/C8H9ClFN/c1-5(2)6-3-4-11-8(9)7(6)10/h3-5H,1-2H3
InChIKeySTCIMVBQNPYDQV-UHFFFAOYSA-N
MW173.62 g/mol
LogP3.00
Rot. Bonds1

About 2-chloro-3-fluoro-4-propan-2-ylpyridine

2-chloro-3-fluoro-4-propan-2-ylpyridine (PubChem CID 59849657) has the molecular formula C8H9ClFN and a molecular weight of 173.62 g/mol. Its IUPAC name is 2-chloro-3-fluoro-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-chloro-3-fluoro-4-propan-2-ylpyridine
PubChem CID59849657
Molecular FormulaC8H9ClFN
Molecular Weight173.62 g/mol
Exact Mass173.04
IUPAC Name2-chloro-3-fluoro-4-propan-2-ylpyridine
SMILESCC(C)c1ccnc(Cl)c1F
InChIInChI=1S/C8H9ClFN/c1-5(2)6-3-4-11-8(9)7(6)10/h3-5H,1-2H3
InChIKeySTCIMVBQNPYDQV-UHFFFAOYSA-N
XLogP3.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.62
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-chloro-3-fluoro-4-propan-2-ylpyridine?
The IUPAC name of 2-chloro-3-fluoro-4-propan-2-ylpyridine (CID 59849657) is 2-chloro-3-fluoro-4-propan-2-ylpyridine.
What is the SMILES notation for 2-chloro-3-fluoro-4-propan-2-ylpyridine?
The canonical SMILES for 2-chloro-3-fluoro-4-propan-2-ylpyridine is CC(C)c1ccnc(Cl)c1F.
What is the InChIKey of 2-chloro-3-fluoro-4-propan-2-ylpyridine?
The InChIKey is STCIMVBQNPYDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN/c1-5(2)6-3-4-11-8(9)7(6)10/h3-5H,1-2H3.
What are the key properties of 2-chloro-3-fluoro-4-propan-2-ylpyridine?
2-chloro-3-fluoro-4-propan-2-ylpyridine has a molecular weight of 173.62 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-4-propan-2-ylpyridine is sourced from PubChem (CID 59849657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).