6-chloro-5-nitropyridin-2-amine

C5H4ClN3O2 — CID 3069277

IUPAC6-chloro-5-nitropyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(Cl)n1
InChIInChI=1S/C5H4ClN3O2/c6-5-3(9(10)11)1-2-4(7)8-5/h1-2H,(H2,7,8)
InChIKeyXVJLWPXRQLPUPT-UHFFFAOYSA-N
MW173.56 g/mol
LogP1.23
Rot. Bonds1

About 6-chloro-5-nitropyridin-2-amine

6-chloro-5-nitropyridin-2-amine (PubChem CID 3069277) has the molecular formula C5H4ClN3O2 and a molecular weight of 173.56 g/mol. Its IUPAC name is 6-chloro-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-5-nitropyridin-2-amine
PubChem CID3069277
Molecular FormulaC5H4ClN3O2
Molecular Weight173.56 g/mol
Exact Mass173.00
IUPAC Name6-chloro-5-nitropyridin-2-amine
SMILESNc1ccc([N+](=O)[O-])c(Cl)n1
InChIInChI=1S/C5H4ClN3O2/c6-5-3(9(10)11)1-2-4(7)8-5/h1-2H,(H2,7,8)
InChIKeyXVJLWPXRQLPUPT-UHFFFAOYSA-N
XLogP1.23
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.56
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

6-chloro-3-nitropyridine-2-carbonitrile;copper(1+);2,6-dichloro-3-nitropyridine;cyanide
CID 160902342
3-(6-chloro-5-nitro-2-pyridinyl)propan-1-amine
CID 83886860
6-chloro-5-nitropyridine-2-carboxylate
CID 6974574
1-(6-chloro-5-nitro-2-pyridinyl)propan-2-amine
CID 83886862
2-chloro-3-nitro-6-phenylpyridine;6-chloro-3-nitropyridin-2-amine;3-nitro-6-phenylpyridin-2-amine
CID 159704997
2-N-(3-chloro-5-fluorophenyl)-3-nitropyridine-2,6-diamine
CID 107371066
6-tert-butylsulfanyl-5-nitropyridin-2-amine
CID 80888606
5-nitro-6-pyridin-4-ylpyridin-2-amine
CID 13309018
2-[(6-amino-3-nitro-2-pyridinyl)sulfanyl]pyrimidine-4,6-diamine
CID 80885230
6-(3-chlorophenoxy)-5-nitropyridin-2-amine
CID 80869741
6-chloro-2-iodo-3-nitropyridine
CID 130882718
6-methyl-5-nitropyridin-2-amine;6-methyl-5-nitro-1H-pyridin-2-one
CID 160641556

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-nitropyridin-2-amine?
The IUPAC name of 6-chloro-5-nitropyridin-2-amine (CID 3069277) is 6-chloro-5-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-5-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-5-nitropyridin-2-amine is Nc1ccc([N+](=O)[O-])c(Cl)n1.
What is the InChIKey of 6-chloro-5-nitropyridin-2-amine?
The InChIKey is XVJLWPXRQLPUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN3O2/c6-5-3(9(10)11)1-2-4(7)8-5/h1-2H,(H2,7,8).
What are the key properties of 6-chloro-5-nitropyridin-2-amine?
6-chloro-5-nitropyridin-2-amine has a molecular weight of 173.56 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-nitropyridin-2-amine is sourced from PubChem (CID 3069277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).