2-chloro-5-nitropyridine;nitrous acid

C5H4ClN3O4 — CID 118129772

IUPAC2-chloro-5-nitropyridine;nitrous acid
SMILESO=NO.O=[N+]([O-])c1ccc(Cl)nc1
InChIInChI=1S/C5H3ClN2O2.HNO2/c6-5-2-1-4(3-7-5)8(9)10;2-1-3/h1-3H;(H,2,3)
InChIKeyWCYLQDTYIXSMQG-UHFFFAOYSA-N
MW205.56 g/mol
LogP1.79
Rot. Bonds1

About 2-chloro-5-nitropyridine;nitrous acid

2-chloro-5-nitropyridine;nitrous acid (PubChem CID 118129772) has the molecular formula C5H4ClN3O4 and a molecular weight of 205.56 g/mol. Its IUPAC name is 2-chloro-5-nitropyridine;nitrous acid.

Molecular Properties

Compound Name2-chloro-5-nitropyridine;nitrous acid
PubChem CID118129772
Molecular FormulaC5H4ClN3O4
Molecular Weight205.56 g/mol
Exact Mass204.99
IUPAC Name2-chloro-5-nitropyridine;nitrous acid
SMILESO=NO.O=[N+]([O-])c1ccc(Cl)nc1
InChIInChI=1S/C5H3ClN2O2.HNO2/c6-5-2-1-4(3-7-5)8(9)10;2-1-3/h1-3H;(H,2,3)
InChIKeyWCYLQDTYIXSMQG-UHFFFAOYSA-N
XLogP1.79
TPSA105.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.56
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

2-chloro-5-nitropyridine;6-chloropyridin-3-amine
CID 87669080
1,4-dinitrobenzene;nitrous acid
CID 174371180
methane;5-nitropyridin-2-amine
CID 174857781
ethane;2-methyl-5-nitropyridine
CID 123657002
2-chloro-7-nitro-1,5-naphthyridine
CID 163817652
tert-butyl 4-(5-nitro-2-pyridinyl)piperazine-1-carboxylate;2-chloro-5-nitropyridine
CID 156566035
6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide
CID 22668935
N'-[(6-chloro-3-pyridinyl)sulfonyl]-4-nitrobenzohydrazide
CID 4729926
5-nitropyridine-2-carbothioamide
CID 82668935
3-chloro-1-(5-nitro-2-pyridinyl)propane-1,2-diol
CID 171862025
N-hydrazinylidene-5-nitropyridine-2-carboxamide
CID 126667337
2-isothiocyanato-5-nitropyridine
CID 12866943

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-nitropyridine;nitrous acid?
The IUPAC name of 2-chloro-5-nitropyridine;nitrous acid (CID 118129772) is 2-chloro-5-nitropyridine;nitrous acid.
What is the SMILES notation for 2-chloro-5-nitropyridine;nitrous acid?
The canonical SMILES for 2-chloro-5-nitropyridine;nitrous acid is O=NO.O=[N+]([O-])c1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-nitropyridine;nitrous acid?
The InChIKey is WCYLQDTYIXSMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN2O2.HNO2/c6-5-2-1-4(3-7-5)8(9)10;2-1-3/h1-3H;(H,2,3).
What are the key properties of 2-chloro-5-nitropyridine;nitrous acid?
2-chloro-5-nitropyridine;nitrous acid has a molecular weight of 205.56 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitropyridine;nitrous acid is sourced from PubChem (CID 118129772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).