6-chloro-4-nitro-1,2-dihydropyridine

C5H5ClN2O2 — CID 143640173

IUPAC6-chloro-4-nitro-1,2-dihydropyridine
SMILESO=[N+]([O-])C1=CCNC(Cl)=C1
InChIInChI=1S/C5H5ClN2O2/c6-5-3-4(8(9)10)1-2-7-5/h1,3,7H,2H2
InChIKeyGIJWAMHJOUNXAA-UHFFFAOYSA-N
MW160.56 g/mol
LogP0.83
Rot. Bonds1

About 6-chloro-4-nitro-1,2-dihydropyridine

6-chloro-4-nitro-1,2-dihydropyridine (PubChem CID 143640173) has the molecular formula C5H5ClN2O2 and a molecular weight of 160.56 g/mol. Its IUPAC name is 6-chloro-4-nitro-1,2-dihydropyridine.

Molecular Properties

Compound Name6-chloro-4-nitro-1,2-dihydropyridine
PubChem CID143640173
Molecular FormulaC5H5ClN2O2
Molecular Weight160.56 g/mol
Exact Mass160.00
IUPAC Name6-chloro-4-nitro-1,2-dihydropyridine
SMILESO=[N+]([O-])C1=CCNC(Cl)=C1
InChIInChI=1S/C5H5ClN2O2/c6-5-3-4(8(9)10)1-2-7-5/h1,3,7H,2H2
InChIKeyGIJWAMHJOUNXAA-UHFFFAOYSA-N
XLogP0.83
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.56
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-nitrocyclopenta-1,3-diene
CID 59035933
6-methyl-3-nitrocyclohexa-1,3-dien-1-amine
CID 88976723
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CID 143161754
3-chloro-6-nitrocyclohexa-1,3-dien-1-amine
CID 153064228
3-nitrocyclohepta-1,3,6-triene-1-carboxylic acid
CID 144923559
4'-chloro-6-nitrospiro[1,3,3a,4-tetrahydroindene-2,5'-7H-pyrrolo[2,3-d]pyrimidine]-6'-one
CID 66636837
5,5-dimethyl-2-nitrocyclohex-2-en-1-one
CID 15176518
4-chloro-3-nitrobicyclo[4.1.1]octa-1(7),2,4-triene
CID 89083416
5-chloro-4-nitro-1H-pyrazole
CID 18769507
1-chloro-2,4-dinitrocyclohexa-1,3-diene
CID 19935349
2-bromo-2-chloro-5-nitro-1H-pyridine
CID 70456079
1-methyl-4-nitrocyclohexa-2,4-diene-1,2-dicarbonitrile
CID 163566117

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-nitro-1,2-dihydropyridine?
The IUPAC name of 6-chloro-4-nitro-1,2-dihydropyridine (CID 143640173) is 6-chloro-4-nitro-1,2-dihydropyridine.
What is the SMILES notation for 6-chloro-4-nitro-1,2-dihydropyridine?
The canonical SMILES for 6-chloro-4-nitro-1,2-dihydropyridine is O=[N+]([O-])C1=CCNC(Cl)=C1.
What is the InChIKey of 6-chloro-4-nitro-1,2-dihydropyridine?
The InChIKey is GIJWAMHJOUNXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClN2O2/c6-5-3-4(8(9)10)1-2-7-5/h1,3,7H,2H2.
What are the key properties of 6-chloro-4-nitro-1,2-dihydropyridine?
6-chloro-4-nitro-1,2-dihydropyridine has a molecular weight of 160.56 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-nitro-1,2-dihydropyridine is sourced from PubChem (CID 143640173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).