1-chloropentane;2,6-dichloro-3-fluoropyridine

C10H13Cl3FN — CID 174607931

IUPAC1-chloropentane;2,6-dichloro-3-fluoropyridine
SMILESCCCCCCl.Fc1ccc(Cl)nc1Cl
InChIInChI=1S/C5H2Cl2FN.C5H11Cl/c6-4-2-1-3(8)5(7)9-4;1-2-3-4-5-6/h1-2H;2-5H2,1H3
InChIKeyVPZRIHDQYJBYJF-UHFFFAOYSA-N
MW272.58 g/mol
LogP4.94
Rot. Bonds3

About 1-chloropentane;2,6-dichloro-3-fluoropyridine

1-chloropentane;2,6-dichloro-3-fluoropyridine (PubChem CID 174607931) has the molecular formula C10H13Cl3FN and a molecular weight of 272.58 g/mol. Its IUPAC name is 1-chloropentane;2,6-dichloro-3-fluoropyridine.

Molecular Properties

Compound Name1-chloropentane;2,6-dichloro-3-fluoropyridine
PubChem CID174607931
Molecular FormulaC10H13Cl3FN
Molecular Weight272.58 g/mol
Exact Mass271.01
IUPAC Name1-chloropentane;2,6-dichloro-3-fluoropyridine
SMILESCCCCCCl.Fc1ccc(Cl)nc1Cl
InChIInChI=1S/C5H2Cl2FN.C5H11Cl/c6-4-2-1-3(8)5(7)9-4;1-2-3-4-5-6/h1-2H;2-5H2,1H3
InChIKeyVPZRIHDQYJBYJF-UHFFFAOYSA-N
XLogP4.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.58
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-fluoro-N-pentylpyridin-2-amine
CID 90135424
2-chloro-3-(4-chlorophenyl)quinoline;1-chloropentane
CID 174779810
2,6-dichloro-3-(octoxymethyl)pyridine
CID 106994491
2,6-dichloro-3-propylpyridine
CID 23131294
1-chlorononane
CID 17185
1-chloropentadecane
CID 20996
1-chloropentane;tetracosane
CID 174427484
1-chloropentane;octacosane
CID 174937871
1-chloropentane;ethane
CID 175284520
1-chloropentane;pentadecane
CID 174295582
1-chloropentane;perylene
CID 174651563
1-chloropentane;ethane-1,2-diamine
CID 174805290

Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;2,6-dichloro-3-fluoropyridine?
The IUPAC name of 1-chloropentane;2,6-dichloro-3-fluoropyridine (CID 174607931) is 1-chloropentane;2,6-dichloro-3-fluoropyridine.
What is the SMILES notation for 1-chloropentane;2,6-dichloro-3-fluoropyridine?
The canonical SMILES for 1-chloropentane;2,6-dichloro-3-fluoropyridine is CCCCCCl.Fc1ccc(Cl)nc1Cl.
What is the InChIKey of 1-chloropentane;2,6-dichloro-3-fluoropyridine?
The InChIKey is VPZRIHDQYJBYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2FN.C5H11Cl/c6-4-2-1-3(8)5(7)9-4;1-2-3-4-5-6/h1-2H;2-5H2,1H3.
What are the key properties of 1-chloropentane;2,6-dichloro-3-fluoropyridine?
1-chloropentane;2,6-dichloro-3-fluoropyridine has a molecular weight of 272.58 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;2,6-dichloro-3-fluoropyridine is sourced from PubChem (CID 174607931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).