2-chloro-3-nitropyridine-4-carboxylic acid

C6H3ClN2O4 — CID 1214501

IUPAC2-chloro-3-nitropyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C6H3ClN2O4/c7-5-4(9(12)13)3(6(10)11)1-2-8-5/h1-2H,(H,10,11)
InChIKeyADPCJMUNRPBSCO-UHFFFAOYSA-N
MW202.55 g/mol
LogP1.34
Rot. Bonds2

About 2-chloro-3-nitropyridine-4-carboxylic acid

2-chloro-3-nitropyridine-4-carboxylic acid (PubChem CID 1214501) has the molecular formula C6H3ClN2O4 and a molecular weight of 202.55 g/mol. Its IUPAC name is 2-chloro-3-nitropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-3-nitropyridine-4-carboxylic acid
PubChem CID1214501
Molecular FormulaC6H3ClN2O4
Molecular Weight202.55 g/mol
Exact Mass201.98
IUPAC Name2-chloro-3-nitropyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C6H3ClN2O4/c7-5-4(9(12)13)3(6(10)11)1-2-8-5/h1-2H,(H,10,11)
InChIKeyADPCJMUNRPBSCO-UHFFFAOYSA-N
XLogP1.34
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.55
LogP ≤ 51.34
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-nitropyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-3-nitropyridine-4-carboxylic acid (CID 1214501) is 2-chloro-3-nitropyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-3-nitropyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-3-nitropyridine-4-carboxylic acid is O=C(O)c1ccnc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 2-chloro-3-nitropyridine-4-carboxylic acid?
The InChIKey is ADPCJMUNRPBSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN2O4/c7-5-4(9(12)13)3(6(10)11)1-2-8-5/h1-2H,(H,10,11).
What are the key properties of 2-chloro-3-nitropyridine-4-carboxylic acid?
2-chloro-3-nitropyridine-4-carboxylic acid has a molecular weight of 202.55 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-nitropyridine-4-carboxylic acid is sourced from PubChem (CID 1214501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).