2-chloro-5-fluoro-3-(2-fluoro-5-propoxyphenyl)pyridine

C14H12ClF2NO — CID 132542671

IUPAC2-chloro-5-fluoro-3-(2-fluoro-5-propoxyphenyl)pyridine
SMILESCCCOc1ccc(F)c(-c2cc(F)cnc2Cl)c1
InChIInChI=1S/C14H12ClF2NO/c1-2-5-19-10-3-4-13(17)11(7-10)12-6-9(16)8-18-14(12)15/h3-4,6-8H,2,5H2,1H3
InChIKeyJDTQSWPITVVPSG-UHFFFAOYSA-N
MW283.71 g/mol
LogP4.47
Rot. Bonds4

About 2-chloro-5-fluoro-3-(2-fluoro-5-propoxyphenyl)pyridine

2-chloro-5-fluoro-3-(2-fluoro-5-propoxyphenyl)pyridine (PubChem CID 132542671) has the molecular formula C14H12ClF2NO and a molecular weight of 283.71 g/mol. Its IUPAC name is 2-chloro-5-fluoro-3-(2-fluoro-5-propoxyphenyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-fluoro-3-(2-fluoro-5-propoxyphenyl)pyridine
PubChem CID132542671
Molecular FormulaC14H12ClF2NO
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name2-chloro-5-fluoro-3-(2-fluoro-5-propoxyphenyl)pyridine
SMILESCCCOc1ccc(F)c(-c2cc(F)cnc2Cl)c1
InChIInChI=1S/C14H12ClF2NO/c1-2-5-19-10-3-4-13(17)11(7-10)12-6-9(16)8-18-14(12)15/h3-4,6-8H,2,5H2,1H3
InChIKeyJDTQSWPITVVPSG-UHFFFAOYSA-N
XLogP4.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 54.47
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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Related Compounds

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CID 15480243
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CID 44372042
3-(3-(3-Chlorobenzyloxy)-5-methylphenyl)pyridine
CID 44409820
(4-Chloro-2-fluorophenyl)-(4-propan-2-yloxyphenyl)-pyridin-3-ylmethanol
CID 56679074
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CID 514897
6-chloro-2-(4-chlorophenyl)-2H-pyrano[2,3-b]pyridine
CID 514907
2-Chloro-3-(3-methoxy-phenyl)-5-((R)-pyrrolidin-3-yloxy)-pyridine
CID 9861289
4-(4-Butoxy-phenyl)-pyridine
CID 11322127
3-(4-Butoxy-phenyl)-pyridine
CID 11817019
1-Chloro-8-methoxyisoquinoline
CID 13820645
3-Chloro-8-methoxyisoquinoline
CID 14589577
3-Chloro-2-naphthalen-1-yloxy-5-(trifluoromethyl)pyridine
CID 2446861

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-3-(2-fluoro-5-propoxyphenyl)pyridine?
The IUPAC name of 2-chloro-5-fluoro-3-(2-fluoro-5-propoxyphenyl)pyridine (CID 132542671) is 2-chloro-5-fluoro-3-(2-fluoro-5-propoxyphenyl)pyridine.
What is the SMILES notation for 2-chloro-5-fluoro-3-(2-fluoro-5-propoxyphenyl)pyridine?
The canonical SMILES for 2-chloro-5-fluoro-3-(2-fluoro-5-propoxyphenyl)pyridine is CCCOc1ccc(F)c(-c2cc(F)cnc2Cl)c1.
What is the InChIKey of 2-chloro-5-fluoro-3-(2-fluoro-5-propoxyphenyl)pyridine?
The InChIKey is JDTQSWPITVVPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO/c1-2-5-19-10-3-4-13(17)11(7-10)12-6-9(16)8-18-14(12)15/h3-4,6-8H,2,5H2,1H3.
What are the key properties of 2-chloro-5-fluoro-3-(2-fluoro-5-propoxyphenyl)pyridine?
2-chloro-5-fluoro-3-(2-fluoro-5-propoxyphenyl)pyridine has a molecular weight of 283.71 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-3-(2-fluoro-5-propoxyphenyl)pyridine is sourced from PubChem (CID 132542671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).