5-(2-chloro-4-pyridinyl)-2-fluoro-3-(3-fluoro-4-pyridinyl)pyridine

C15H8ClF2N3 — CID 91433464

IUPAC5-(2-chloro-4-pyridinyl)-2-fluoro-3-(3-fluoro-4-pyridinyl)pyridine
SMILESFc1cnccc1-c1cc(-c2ccnc(Cl)c2)cnc1F
InChIInChI=1S/C15H8ClF2N3/c16-14-6-9(1-4-20-14)10-5-12(15(18)21-7-10)11-2-3-19-8-13(11)17/h1-8H
InChIKeyYKADLHBBVMKAPN-UHFFFAOYSA-N
MW303.70 g/mol
LogP4.14
Rot. Bonds2

About 5-(2-chloro-4-pyridinyl)-2-fluoro-3-(3-fluoro-4-pyridinyl)pyridine

5-(2-chloro-4-pyridinyl)-2-fluoro-3-(3-fluoro-4-pyridinyl)pyridine (PubChem CID 91433464) has the molecular formula C15H8ClF2N3 and a molecular weight of 303.70 g/mol. Its IUPAC name is 5-(2-chloro-4-pyridinyl)-2-fluoro-3-(3-fluoro-4-pyridinyl)pyridine.

Molecular Properties

Compound Name5-(2-chloro-4-pyridinyl)-2-fluoro-3-(3-fluoro-4-pyridinyl)pyridine
PubChem CID91433464
Molecular FormulaC15H8ClF2N3
Molecular Weight303.70 g/mol
Exact Mass303.04
IUPAC Name5-(2-chloro-4-pyridinyl)-2-fluoro-3-(3-fluoro-4-pyridinyl)pyridine
SMILESFc1cnccc1-c1cc(-c2ccnc(Cl)c2)cnc1F
InChIInChI=1S/C15H8ClF2N3/c16-14-6-9(1-4-20-14)10-5-12(15(18)21-7-10)11-2-3-19-8-13(11)17/h1-8H
InChIKeyYKADLHBBVMKAPN-UHFFFAOYSA-N
XLogP4.14
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4'-Chloro-2,2':6',2''-terpyridine
CID 667748
3,3'-Bipyridine
CID 68487
7-(6-Chloro-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57486336
2'-Chloro-N-methyl-1,2,5,6-tetrahydro-3,4'-bipyridine hcl
CID 45262543
4-(4'-Chlorobenzyl)pyridine
CID 78124
2-Chloro-5-phenylpyridine
CID 2762868
4-(4-Chlorostyryl)pyridine
CID 735607
5-(6-Chloro-3-pyridinyl)-2-azabicyclo[2.2.2]octane
CID 44395274
(1R,2R,4R)-2-[6-chloro-5-(2-fluoro-4-pyridinyl)-3-pyridinyl]-7-methyl-7-azabicyclo[2.2.1]heptane
CID 44427411
(1R,2R,4R)-2-[6-chloro-5-(6-fluoro-3-pyridinyl)-3-pyridinyl]-7-methyl-7-azabicyclo[2.2.1]heptane
CID 44427418
2-Chloro-5-(piperidin-1-ylmethyl)pyridine
CID 1473525
13-Chloro-2-[1-(pyridin-4-ylmethyl)piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 10408773

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-pyridinyl)-2-fluoro-3-(3-fluoro-4-pyridinyl)pyridine?
The IUPAC name of 5-(2-chloro-4-pyridinyl)-2-fluoro-3-(3-fluoro-4-pyridinyl)pyridine (CID 91433464) is 5-(2-chloro-4-pyridinyl)-2-fluoro-3-(3-fluoro-4-pyridinyl)pyridine.
What is the SMILES notation for 5-(2-chloro-4-pyridinyl)-2-fluoro-3-(3-fluoro-4-pyridinyl)pyridine?
The canonical SMILES for 5-(2-chloro-4-pyridinyl)-2-fluoro-3-(3-fluoro-4-pyridinyl)pyridine is Fc1cnccc1-c1cc(-c2ccnc(Cl)c2)cnc1F.
What is the InChIKey of 5-(2-chloro-4-pyridinyl)-2-fluoro-3-(3-fluoro-4-pyridinyl)pyridine?
The InChIKey is YKADLHBBVMKAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2N3/c16-14-6-9(1-4-20-14)10-5-12(15(18)21-7-10)11-2-3-19-8-13(11)17/h1-8H.
What are the key properties of 5-(2-chloro-4-pyridinyl)-2-fluoro-3-(3-fluoro-4-pyridinyl)pyridine?
5-(2-chloro-4-pyridinyl)-2-fluoro-3-(3-fluoro-4-pyridinyl)pyridine has a molecular weight of 303.70 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-pyridinyl)-2-fluoro-3-(3-fluoro-4-pyridinyl)pyridine is sourced from PubChem (CID 91433464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).