3-(3-chloro-4-pyridinyl)-5-nitro-2-pyridin-4-ylpyridine

C15H9ClN4O2 — CID 141174252

IUPAC3-(3-chloro-4-pyridinyl)-5-nitro-2-pyridin-4-ylpyridine
SMILESO=[N+]([O-])c1cnc(-c2ccncc2)c(-c2ccncc2Cl)c1
InChIInChI=1S/C15H9ClN4O2/c16-14-9-18-6-3-12(14)13-7-11(20(21)22)8-19-15(13)10-1-4-17-5-2-10/h1-9H
InChIKeyMWJIFKFVLYMICO-UHFFFAOYSA-N
MW312.72 g/mol
LogP3.77
Rot. Bonds3

About 3-(3-chloro-4-pyridinyl)-5-nitro-2-pyridin-4-ylpyridine

3-(3-chloro-4-pyridinyl)-5-nitro-2-pyridin-4-ylpyridine (PubChem CID 141174252) has the molecular formula C15H9ClN4O2 and a molecular weight of 312.72 g/mol. Its IUPAC name is 3-(3-chloro-4-pyridinyl)-5-nitro-2-pyridin-4-ylpyridine.

Molecular Properties

Compound Name3-(3-chloro-4-pyridinyl)-5-nitro-2-pyridin-4-ylpyridine
PubChem CID141174252
Molecular FormulaC15H9ClN4O2
Molecular Weight312.72 g/mol
Exact Mass312.04
IUPAC Name3-(3-chloro-4-pyridinyl)-5-nitro-2-pyridin-4-ylpyridine
SMILESO=[N+]([O-])c1cnc(-c2ccncc2)c(-c2ccncc2Cl)c1
InChIInChI=1S/C15H9ClN4O2/c16-14-9-18-6-3-12(14)13-7-11(20(21)22)8-19-15(13)10-1-4-17-5-2-10/h1-9H
InChIKeyMWJIFKFVLYMICO-UHFFFAOYSA-N
XLogP3.77
TPSA81.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.72
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 610440
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CID 10871645
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CID 10681670
4-Chloro-3-nitroquinoline
CID 11275808
4-Chloro-2-pyridin-2-yl-6-pyridin-3-ylpyridine
CID 162644969
3-Nitro-2-phenylpyridine
CID 2762787
1-Piperazineethanamine, 4-((4-chlorophenyl)-4-pyridinylmethyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, tetrahydrochloride
CID 3066635
1-Chloro-4-nitroisoquinoline
CID 22765481
2-Chloro-5-nitro-3-phenylpyridine
CID 46314698
4-Chloro-6-iodo-3-nitroquinoline
CID 67470126
4-Chloro-7-methyl-3-nitroquinoline
CID 71758466
3,4-DI-(2-Chloropyridin-3-YL)furoxan
CID 15253698

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-pyridinyl)-5-nitro-2-pyridin-4-ylpyridine?
The IUPAC name of 3-(3-chloro-4-pyridinyl)-5-nitro-2-pyridin-4-ylpyridine (CID 141174252) is 3-(3-chloro-4-pyridinyl)-5-nitro-2-pyridin-4-ylpyridine.
What is the SMILES notation for 3-(3-chloro-4-pyridinyl)-5-nitro-2-pyridin-4-ylpyridine?
The canonical SMILES for 3-(3-chloro-4-pyridinyl)-5-nitro-2-pyridin-4-ylpyridine is O=[N+]([O-])c1cnc(-c2ccncc2)c(-c2ccncc2Cl)c1.
What is the InChIKey of 3-(3-chloro-4-pyridinyl)-5-nitro-2-pyridin-4-ylpyridine?
The InChIKey is MWJIFKFVLYMICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O2/c16-14-9-18-6-3-12(14)13-7-11(20(21)22)8-19-15(13)10-1-4-17-5-2-10/h1-9H.
What are the key properties of 3-(3-chloro-4-pyridinyl)-5-nitro-2-pyridin-4-ylpyridine?
3-(3-chloro-4-pyridinyl)-5-nitro-2-pyridin-4-ylpyridine has a molecular weight of 312.72 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-pyridinyl)-5-nitro-2-pyridin-4-ylpyridine is sourced from PubChem (CID 141174252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).