methyl 4,6-dichloro-3-iodopyridine-2-carboxylate

C7H4Cl2INO2 — CID 86668299

IUPACmethyl 4,6-dichloro-3-iodopyridine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)cc(Cl)c1I
InChIInChI=1S/C7H4Cl2INO2/c1-13-7(12)6-5(10)3(8)2-4(9)11-6/h2H,1H3
InChIKeyIYOPRQYKIVCCQN-UHFFFAOYSA-N
MW331.92 g/mol
LogP2.78
Rot. Bonds1

About methyl 4,6-dichloro-3-iodopyridine-2-carboxylate

methyl 4,6-dichloro-3-iodopyridine-2-carboxylate (PubChem CID 86668299) has the molecular formula C7H4Cl2INO2 and a molecular weight of 331.92 g/mol. Its IUPAC name is methyl 4,6-dichloro-3-iodopyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,6-dichloro-3-iodopyridine-2-carboxylate
PubChem CID86668299
Molecular FormulaC7H4Cl2INO2
Molecular Weight331.92 g/mol
Exact Mass330.87
IUPAC Namemethyl 4,6-dichloro-3-iodopyridine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)cc(Cl)c1I
InChIInChI=1S/C7H4Cl2INO2/c1-13-7(12)6-5(10)3(8)2-4(9)11-6/h2H,1H3
InChIKeyIYOPRQYKIVCCQN-UHFFFAOYSA-N
XLogP2.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.92
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 5-chloro-2-iodo-1H-imidazole-4-carboxylate
CID 130113609
methyl 6-chloro-3-(3,4-dichlorophenyl)pyridine-2-carboxylate
CID 133088044
methyl 6-(difluoromethyl)-3-iodo-4-methoxypyridine-2-carboxylate
CID 133102179
methyl 6-chloro-3-(2,5-dichlorophenyl)pyridine-2-carboxylate
CID 133088306
methyl 6-(difluoromethyl)-3,4-diiodopyridine-2-carboxylate
CID 134664181
methyl 4-amino-3,6-dichloro-5-iodopyridine-2-carboxylate
CID 90403719
methyl 5-amino-3-chloro-2-iodobenzoate
CID 68764894
methyl 4-amino-6-chloro-3-(4-chlorophenyl)pyridine-2-carboxylate
CID 88889558
methyl 6-bromo-3-chloro-5-methylpyridine-2-carboxylate
CID 135240587
methyl 4-chloro-6-propan-2-ylpyrimidine-2-carboxylate
CID 66288810
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833
methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate
CID 130073398

Frequently Asked Questions

What is the IUPAC name of methyl 4,6-dichloro-3-iodopyridine-2-carboxylate?
The IUPAC name of methyl 4,6-dichloro-3-iodopyridine-2-carboxylate (CID 86668299) is methyl 4,6-dichloro-3-iodopyridine-2-carboxylate.
What is the SMILES notation for methyl 4,6-dichloro-3-iodopyridine-2-carboxylate?
The canonical SMILES for methyl 4,6-dichloro-3-iodopyridine-2-carboxylate is COC(=O)c1nc(Cl)cc(Cl)c1I.
What is the InChIKey of methyl 4,6-dichloro-3-iodopyridine-2-carboxylate?
The InChIKey is IYOPRQYKIVCCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2INO2/c1-13-7(12)6-5(10)3(8)2-4(9)11-6/h2H,1H3.
What are the key properties of methyl 4,6-dichloro-3-iodopyridine-2-carboxylate?
methyl 4,6-dichloro-3-iodopyridine-2-carboxylate has a molecular weight of 331.92 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,6-dichloro-3-iodopyridine-2-carboxylate is sourced from PubChem (CID 86668299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).