methyl 6-chloro-3-nitropyridine-2-carboxylate

C7H5ClN2O4 — CID 122129855

IUPACmethyl 6-chloro-3-nitropyridine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C7H5ClN2O4/c1-14-7(11)6-4(10(12)13)2-3-5(8)9-6/h2-3H,1H3
InChIKeyOJOVFOKYYSZSGV-UHFFFAOYSA-N
MW216.58 g/mol
LogP1.43
Rot. Bonds2

About methyl 6-chloro-3-nitropyridine-2-carboxylate

methyl 6-chloro-3-nitropyridine-2-carboxylate (PubChem CID 122129855) has the molecular formula C7H5ClN2O4 and a molecular weight of 216.58 g/mol. Its IUPAC name is methyl 6-chloro-3-nitropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-3-nitropyridine-2-carboxylate
PubChem CID122129855
Molecular FormulaC7H5ClN2O4
Molecular Weight216.58 g/mol
Exact Mass215.99
IUPAC Namemethyl 6-chloro-3-nitropyridine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C7H5ClN2O4/c1-14-7(11)6-4(10(12)13)2-3-5(8)9-6/h2-3H,1H3
InChIKeyOJOVFOKYYSZSGV-UHFFFAOYSA-N
XLogP1.43
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.58
LogP ≤ 51.43
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'}

Analyze methyl 6-chloro-3-nitropyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide
CID 104820229
methyl 3-(6-chloro-3-nitro-2-pyridinyl)-5-fluorobenzoate
CID 103186711
methyl 6-chloro-3-(methoxymethyl)pyridine-2-carboxylate
CID 140938984
methyl 3-chloro-6-nitropyridine-2-carboxylate
CID 130837719
(6-chloro-3-nitro-2-pyridinyl)-(2-fluorophenyl)methanone
CID 21448731
methyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]butanoate
CID 114284015
6-chloro-N-hydroxy-3-nitropyridin-2-amine oxide
CID 23568379
carboxy-(6-chloro-3-nitro-2-pyridinyl)carbamic acid
CID 87550888
6-chloro-N-(3-methoxypropyl)-3-nitropyridin-2-amine
CID 43153390
3,6-dichloro-N-(2-nitrophenyl)pyridine-2-carboxamide
CID 60651008
methyl 2,3-dimethyl-6-nitrobenzoate
CID 134648368
dimethyl 2-(5-chloro-2-nitrophenyl)-1H-imidazole-4,5-dicarboxylate
CID 123142443

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-3-nitropyridine-2-carboxylate?
The IUPAC name of methyl 6-chloro-3-nitropyridine-2-carboxylate (CID 122129855) is methyl 6-chloro-3-nitropyridine-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-3-nitropyridine-2-carboxylate?
The canonical SMILES for methyl 6-chloro-3-nitropyridine-2-carboxylate is COC(=O)c1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of methyl 6-chloro-3-nitropyridine-2-carboxylate?
The InChIKey is OJOVFOKYYSZSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O4/c1-14-7(11)6-4(10(12)13)2-3-5(8)9-6/h2-3H,1H3.
What are the key properties of methyl 6-chloro-3-nitropyridine-2-carboxylate?
methyl 6-chloro-3-nitropyridine-2-carboxylate has a molecular weight of 216.58 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-3-nitropyridine-2-carboxylate is sourced from PubChem (CID 122129855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).