6-chloro-5-nitropyridine-2-carboxylate

C6H2ClN2O4- — CID 6974574

IUPAC6-chloro-5-nitropyridine-2-carboxylate
SMILESO=C([O-])c1ccc([N+](=O)[O-])c(Cl)n1
InChIInChI=1S/C6H3ClN2O4/c7-5-4(9(12)13)2-1-3(8-5)6(10)11/h1-2H,(H,10,11)/p-1
InChIKeyWMPMXUCWDZXMEW-UHFFFAOYSA-M
MW201.55 g/mol
LogP0.01
Rot. Bonds2

About 6-chloro-5-nitropyridine-2-carboxylate

6-chloro-5-nitropyridine-2-carboxylate (PubChem CID 6974574) has the molecular formula C6H2ClN2O4- and a molecular weight of 201.55 g/mol. Its IUPAC name is 6-chloro-5-nitropyridine-2-carboxylate.

Molecular Properties

Compound Name6-chloro-5-nitropyridine-2-carboxylate
PubChem CID6974574
Molecular FormulaC6H2ClN2O4-
Molecular Weight201.55 g/mol
Exact Mass200.97
IUPAC Name6-chloro-5-nitropyridine-2-carboxylate
SMILESO=C([O-])c1ccc([N+](=O)[O-])c(Cl)n1
InChIInChI=1S/C6H3ClN2O4/c7-5-4(9(12)13)2-1-3(8-5)6(10)11/h1-2H,(H,10,11)/p-1
InChIKeyWMPMXUCWDZXMEW-UHFFFAOYSA-M
XLogP0.01
TPSA96.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.55
LogP ≤ 50.01
H-Bond Donors ≤ 50
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

1-(6-chloro-5-nitro-2-pyridinyl)propan-1-one
CID 164914777
6-chloro-5-nitropyridin-2-amine
CID 3069277
6-chloro-5-methylpyridine-2-carboxylate
CID 86307348
(E)-3-(6-chloro-5-nitro-2-pyridinyl)-4-iminopent-2-en-2-amine
CID 145209645
carboxy-(6-chloro-3-nitro-2-pyridinyl)carbamic acid
CID 87550888
3-(6-chloro-5-nitro-2-pyridinyl)propan-1-amine
CID 83886860
2,6-dichloro-5-nitropyridine-3-carbonyl chloride
CID 54297365
1-(6-chloro-5-nitro-2-pyridinyl)propan-2-amine
CID 83886862
2-chloro-3-nitro-6-pyridin-3-ylpyridine
CID 20550319
tert-butyl 2-(6-chloro-5-nitro-2-pyridinyl)-2-cyanopropanoate
CID 170357689
3-chloro-4-nitrobenzene-1,2-diol
CID 68960315
6-chloro-3-nitropyridine-2-carbonitrile;copper(1+);2,6-dichloro-3-nitropyridine;cyanide
CID 160902342

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-nitropyridine-2-carboxylate?
The IUPAC name of 6-chloro-5-nitropyridine-2-carboxylate (CID 6974574) is 6-chloro-5-nitropyridine-2-carboxylate.
What is the SMILES notation for 6-chloro-5-nitropyridine-2-carboxylate?
The canonical SMILES for 6-chloro-5-nitropyridine-2-carboxylate is O=C([O-])c1ccc([N+](=O)[O-])c(Cl)n1.
What is the InChIKey of 6-chloro-5-nitropyridine-2-carboxylate?
The InChIKey is WMPMXUCWDZXMEW-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H3ClN2O4/c7-5-4(9(12)13)2-1-3(8-5)6(10)11/h1-2H,(H,10,11)/p-1.
What are the key properties of 6-chloro-5-nitropyridine-2-carboxylate?
6-chloro-5-nitropyridine-2-carboxylate has a molecular weight of 201.55 g/mol, XLogP of 0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-nitropyridine-2-carboxylate is sourced from PubChem (CID 6974574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).