methyl 4-chloro-5-nitropyridine-2-carboxylate

C7H5ClN2O4 — CID 130849623

IUPACmethyl 4-chloro-5-nitropyridine-2-carboxylate
SMILESCOC(=O)c1cc(Cl)c([N+](=O)[O-])cn1
InChIInChI=1S/C7H5ClN2O4/c1-14-7(11)5-2-4(8)6(3-9-5)10(12)13/h2-3H,1H3
InChIKeyHSVVBNLOJAYAGW-UHFFFAOYSA-N
MW216.58 g/mol
LogP1.43
Rot. Bonds2

About methyl 4-chloro-5-nitropyridine-2-carboxylate

methyl 4-chloro-5-nitropyridine-2-carboxylate (PubChem CID 130849623) has the molecular formula C7H5ClN2O4 and a molecular weight of 216.58 g/mol. Its IUPAC name is methyl 4-chloro-5-nitropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-5-nitropyridine-2-carboxylate
PubChem CID130849623
Molecular FormulaC7H5ClN2O4
Molecular Weight216.58 g/mol
Exact Mass215.99
IUPAC Namemethyl 4-chloro-5-nitropyridine-2-carboxylate
SMILESCOC(=O)c1cc(Cl)c([N+](=O)[O-])cn1
InChIInChI=1S/C7H5ClN2O4/c1-14-7(11)5-2-4(8)6(3-9-5)10(12)13/h2-3H,1H3
InChIKeyHSVVBNLOJAYAGW-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 5-nitro-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133097202
methyl 4-[(E)-2-(dimethylamino)ethenyl]-5-nitropyridine-2-carboxylate
CID 86602115
methyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate
CID 124706094
methyl 6-(3-chloro-4-nitrophenoxy)pyrazine-2-carboxylate
CID 66458482
methyl 4-chloro-6-(difluoromethyl)-5-nitropyridine-2-carboxylate
CID 134677721
methyl 5-chloro-2-fluoro-4-nitrobenzoate
CID 167314058
methyl 4-chloro-2-(difluoromethyl)-5-nitropyridine-3-carboxylate
CID 134674210
methyl 4-chloro-7-methoxy-3-nitroquinoline-6-carboxylate
CID 169128533
2-bromo-5-methyl-4-nitro-1-oxidopyridin-1-ium;methyl 4-amino-5-methylpyridine-2-carboxylate
CID 159377572
methyl 6-(difluoromethyl)-4-nitropyridine-3-carboxylate
CID 134673227
methyl 4-chloro-5-nitro-2-(trifluoromethyl)benzoate
CID 58376260
methyl 6-methoxy-5-nitropyridine-3-carboxylate
CID 2746880

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-5-nitropyridine-2-carboxylate?
The IUPAC name of methyl 4-chloro-5-nitropyridine-2-carboxylate (CID 130849623) is methyl 4-chloro-5-nitropyridine-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-5-nitropyridine-2-carboxylate?
The canonical SMILES for methyl 4-chloro-5-nitropyridine-2-carboxylate is COC(=O)c1cc(Cl)c([N+](=O)[O-])cn1.
What is the InChIKey of methyl 4-chloro-5-nitropyridine-2-carboxylate?
The InChIKey is HSVVBNLOJAYAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O4/c1-14-7(11)5-2-4(8)6(3-9-5)10(12)13/h2-3H,1H3.
What are the key properties of methyl 4-chloro-5-nitropyridine-2-carboxylate?
methyl 4-chloro-5-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 4-chloro-5-nitropyridine-2-carboxylate is sourced from PubChem (CID 130849623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).