3-(2-butylphenyl)-6-chloro-2-fluoropyridine

C15H15ClFN — CID 173372518

IUPAC3-(2-butylphenyl)-6-chloro-2-fluoropyridine
SMILESCCCCc1ccccc1-c1ccc(Cl)nc1F
InChIInChI=1S/C15H15ClFN/c1-2-3-6-11-7-4-5-8-12(11)13-9-10-14(16)18-15(13)17/h4-5,7-10H,2-3,6H2,1H3
InChIKeyXENOBRRSVOSKPS-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.88
Rot. Bonds4

About 3-(2-butylphenyl)-6-chloro-2-fluoropyridine

3-(2-butylphenyl)-6-chloro-2-fluoropyridine (PubChem CID 173372518) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is 3-(2-butylphenyl)-6-chloro-2-fluoropyridine.

Molecular Properties

Compound Name3-(2-butylphenyl)-6-chloro-2-fluoropyridine
PubChem CID173372518
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name3-(2-butylphenyl)-6-chloro-2-fluoropyridine
SMILESCCCCc1ccccc1-c1ccc(Cl)nc1F
InChIInChI=1S/C15H15ClFN/c1-2-3-6-11-7-4-5-8-12(11)13-9-10-14(16)18-15(13)17/h4-5,7-10H,2-3,6H2,1H3
InChIKeyXENOBRRSVOSKPS-UHFFFAOYSA-N
XLogP4.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.88
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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Related Compounds

2-(2-butylphenyl)-1-[2-(2-butylphenyl)naphthalen-1-yl]oxynaphthalene
CID 67797892
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
CID 159940559
CID 159940559
azane;1-butyl-2-chlorobenzene
CID 19011342
2-(2-pentylphenyl)phenol
CID 66866892
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
5-(2-butylphenyl)-1H-pyrazole
CID 76541456
2-(2-butylphenyl)pyridine
CID 11977286
4-(2-butylphenyl)-2,5-dimethylaniline
CID 69135877
1-fluoro-2-(2-propylphenyl)benzene
CID 154059621
6-chloro-2-fluoro-3-(4-propyl-2-pyridinyl)pyridine
CID 141368311
2-(2-butylphenyl)naphthalene
CID 58626566

Frequently Asked Questions

What is the IUPAC name of 3-(2-butylphenyl)-6-chloro-2-fluoropyridine?
The IUPAC name of 3-(2-butylphenyl)-6-chloro-2-fluoropyridine (CID 173372518) is 3-(2-butylphenyl)-6-chloro-2-fluoropyridine.
What is the SMILES notation for 3-(2-butylphenyl)-6-chloro-2-fluoropyridine?
The canonical SMILES for 3-(2-butylphenyl)-6-chloro-2-fluoropyridine is CCCCc1ccccc1-c1ccc(Cl)nc1F.
What is the InChIKey of 3-(2-butylphenyl)-6-chloro-2-fluoropyridine?
The InChIKey is XENOBRRSVOSKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-2-3-6-11-7-4-5-8-12(11)13-9-10-14(16)18-15(13)17/h4-5,7-10H,2-3,6H2,1H3.
What are the key properties of 3-(2-butylphenyl)-6-chloro-2-fluoropyridine?
3-(2-butylphenyl)-6-chloro-2-fluoropyridine has a molecular weight of 263.74 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-butylphenyl)-6-chloro-2-fluoropyridine is sourced from PubChem (CID 173372518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).