6-chloro-2-fluoro-3-(4-propyl-2-pyridinyl)pyridine

C13H12ClFN2 — CID 141368311

IUPAC6-chloro-2-fluoro-3-(4-propyl-2-pyridinyl)pyridine
SMILESCCCc1ccnc(-c2ccc(Cl)nc2F)c1
InChIInChI=1S/C13H12ClFN2/c1-2-3-9-6-7-16-11(8-9)10-4-5-12(14)17-13(10)15/h4-8H,2-3H2,1H3
InChIKeyMJTAOUYUJOJGKL-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.89
Rot. Bonds3

About 6-chloro-2-fluoro-3-(4-propyl-2-pyridinyl)pyridine

6-chloro-2-fluoro-3-(4-propyl-2-pyridinyl)pyridine (PubChem CID 141368311) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 6-chloro-2-fluoro-3-(4-propyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name6-chloro-2-fluoro-3-(4-propyl-2-pyridinyl)pyridine
PubChem CID141368311
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name6-chloro-2-fluoro-3-(4-propyl-2-pyridinyl)pyridine
SMILESCCCc1ccnc(-c2ccc(Cl)nc2F)c1
InChIInChI=1S/C13H12ClFN2/c1-2-3-9-6-7-16-11(8-9)10-4-5-12(14)17-13(10)15/h4-8H,2-3H2,1H3
InChIKeyMJTAOUYUJOJGKL-UHFFFAOYSA-N
XLogP3.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.89
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 6-chloro-2-fluoro-3-(4-propyl-2-pyridinyl)pyridine?
The IUPAC name of 6-chloro-2-fluoro-3-(4-propyl-2-pyridinyl)pyridine (CID 141368311) is 6-chloro-2-fluoro-3-(4-propyl-2-pyridinyl)pyridine.
What is the SMILES notation for 6-chloro-2-fluoro-3-(4-propyl-2-pyridinyl)pyridine?
The canonical SMILES for 6-chloro-2-fluoro-3-(4-propyl-2-pyridinyl)pyridine is CCCc1ccnc(-c2ccc(Cl)nc2F)c1.
What is the InChIKey of 6-chloro-2-fluoro-3-(4-propyl-2-pyridinyl)pyridine?
The InChIKey is MJTAOUYUJOJGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-2-3-9-6-7-16-11(8-9)10-4-5-12(14)17-13(10)15/h4-8H,2-3H2,1H3.
What are the key properties of 6-chloro-2-fluoro-3-(4-propyl-2-pyridinyl)pyridine?
6-chloro-2-fluoro-3-(4-propyl-2-pyridinyl)pyridine has a molecular weight of 250.70 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-3-(4-propyl-2-pyridinyl)pyridine is sourced from PubChem (CID 141368311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).