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

C7H5ClN2O4 — CID 130837719

IUPACmethyl 3-chloro-6-nitropyridine-2-carboxylate
SMILESCOC(=O)c1nc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C7H5ClN2O4/c1-14-7(11)6-4(8)2-3-5(9-6)10(12)13/h2-3H,1H3
InChIKeyDZKHIQNWLOMJRY-UHFFFAOYSA-N
MW216.58 g/mol
LogP1.43
Rot. Bonds2

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

methyl 3-chloro-6-nitropyridine-2-carboxylate (PubChem CID 130837719) has the molecular formula C7H5ClN2O4 and a molecular weight of 216.58 g/mol. Its IUPAC name is methyl 3-chloro-6-nitropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-6-nitropyridine-2-carboxylate
PubChem CID130837719
Molecular FormulaC7H5ClN2O4
Molecular Weight216.58 g/mol
Exact Mass215.99
IUPAC Namemethyl 3-chloro-6-nitropyridine-2-carboxylate
SMILESCOC(=O)c1nc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C7H5ClN2O4/c1-14-7(11)6-4(8)2-3-5(9-6)10(12)13/h2-3H,1H3
InChIKeyDZKHIQNWLOMJRY-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 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
CID 134636585
methyl 6-chloro-3-nitropyridine-2-carboxylate
CID 122129855
methyl 3-(difluoromethyl)-4-fluoro-6-nitropyridine-2-carboxylate
CID 133104560
methyl 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carboxylate
CID 133103216
(4-acetamidophenyl)-hydroperoxyarsinic acid;methyl 3,6-dichloropyridine-2-carboxylate
CID 174778198
methyl 3-chloro-6-morpholin-4-ylpyridine-2-carboxylate
CID 134159276
[(2R)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 3,6-dichloropyridine-2-carboxylate
CID 51466786
methyl 3,5-dichloro-4-nitrobenzoate
CID 131863205
ethyl 3-(difluoromethyl)-6-nitropyridine-2-carboxylate
CID 134670408
methyl 6-amino-5-methyl-2-(6-nitro-3-pyridinyl)pyrimidine-4-carboxylate
CID 143893432
methyl 4-chloro-5-nitropyridine-2-carboxylate
CID 130849623
methyl 6-anilino-2-chloro-5-nitropyrimidine-4-carboxylate
CID 57474557

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-6-nitropyridine-2-carboxylate?
The IUPAC name of methyl 3-chloro-6-nitropyridine-2-carboxylate (CID 130837719) is methyl 3-chloro-6-nitropyridine-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-6-nitropyridine-2-carboxylate?
The canonical SMILES for methyl 3-chloro-6-nitropyridine-2-carboxylate is COC(=O)c1nc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of methyl 3-chloro-6-nitropyridine-2-carboxylate?
The InChIKey is DZKHIQNWLOMJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O4/c1-14-7(11)6-4(8)2-3-5(9-6)10(12)13/h2-3H,1H3.
What are the key properties of methyl 3-chloro-6-nitropyridine-2-carboxylate?
methyl 3-chloro-6-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 3-chloro-6-nitropyridine-2-carboxylate is sourced from PubChem (CID 130837719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).