4-chloro-2-nitropyridine

C5H3ClN2O2 — CID 2762847

IUPAC4-chloro-2-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)ccn1
InChIInChI=1S/C5H3ClN2O2/c6-4-1-2-7-5(3-4)8(9)10/h1-3H
InChIKeyYPKBJRKFGYVURL-UHFFFAOYSA-N
MW158.54 g/mol
LogP1.64
Rot. Bonds1

About 4-chloro-2-nitropyridine

4-chloro-2-nitropyridine (PubChem CID 2762847) has the molecular formula C5H3ClN2O2 and a molecular weight of 158.54 g/mol. Its IUPAC name is 4-chloro-2-nitropyridine.

Molecular Properties

Compound Name4-chloro-2-nitropyridine
PubChem CID2762847
Molecular FormulaC5H3ClN2O2
Molecular Weight158.54 g/mol
Exact Mass157.99
IUPAC Name4-chloro-2-nitropyridine
SMILESO=[N+]([O-])c1cc(Cl)ccn1
InChIInChI=1S/C5H3ClN2O2/c6-4-1-2-7-5(3-4)8(9)10/h1-3H
InChIKeyYPKBJRKFGYVURL-UHFFFAOYSA-N
XLogP1.64
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.54
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 133060789
2-(2-nitro-4-pyridinyl)acetonitrile
CID 142662159
4-chloro-2-iodo-6-nitropyridine
CID 118839728
3-chloro-2,4-dinitropyridine
CID 174686743
5-bromo-4-chloro-2-nitropyridine
CID 118994717
5-chloro-4-methyl-2-nitropyridine
CID 77230639
4-chloro-N-(4-chloro-2-nitrophenyl)pyridine-2-carboxamide
CID 60705527
1-(2,5-dichlorophenyl)-4-nitroimidazole
CID 24756833
4-chloro-N-(4-chloro-2-pyridinyl)-2-nitrobenzamide
CID 115626712
N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 115577532
4-chloro-2,6-bis(4-chloro-2-pyridinyl)pyridine
CID 58781432
3-(5-chloro-2-fluorophenyl)-5-[(2-nitro-4-pyridinyl)amino]-6-propan-2-yl-1H-pyridin-2-one
CID 146296471

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-nitropyridine?
The IUPAC name of 4-chloro-2-nitropyridine (CID 2762847) is 4-chloro-2-nitropyridine.
What is the SMILES notation for 4-chloro-2-nitropyridine?
The canonical SMILES for 4-chloro-2-nitropyridine is O=[N+]([O-])c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-2-nitropyridine?
The InChIKey is YPKBJRKFGYVURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN2O2/c6-4-1-2-7-5(3-4)8(9)10/h1-3H.
What are the key properties of 4-chloro-2-nitropyridine?
4-chloro-2-nitropyridine has a molecular weight of 158.54 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-nitropyridine is sourced from PubChem (CID 2762847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).