ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate

C9H7Cl2NO3 — CID 163257915

IUPACethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
SMILESCCOC(=O)c1cc(Cl)ncc1C(=O)Cl
InChIInChI=1S/C9H7Cl2NO3/c1-2-15-9(14)5-3-7(10)12-4-6(5)8(11)13/h3-4H,2H2,1H3
InChIKeyRSKYHWULWSTUML-UHFFFAOYSA-N
MW248.06 g/mol
LogP2.29
Rot. Bonds3

About ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate

ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate (PubChem CID 163257915) has the molecular formula C9H7Cl2NO3 and a molecular weight of 248.06 g/mol. Its IUPAC name is ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
PubChem CID163257915
Molecular FormulaC9H7Cl2NO3
Molecular Weight248.06 g/mol
Exact Mass246.98
IUPAC Nameethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
SMILESCCOC(=O)c1cc(Cl)ncc1C(=O)Cl
InChIInChI=1S/C9H7Cl2NO3/c1-2-15-9(14)5-3-7(10)12-4-6(5)8(11)13/h3-4H,2H2,1H3
InChIKeyRSKYHWULWSTUML-UHFFFAOYSA-N
XLogP2.29
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.06
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 163257477
ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
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ethyl 6-chloro-4-nitropyridine-3-carboxylate
CID 133097776
ethyl 6-chloro-4-(2-chlorophenyl)pyridine-3-carboxylate
CID 87890311
[6-chloro-4-(methylamino)-3-pyridinyl]methanol;ethyl 6-chloro-4-(methylamino)pyridine-3-carboxylate
CID 158099879
ethyl 2-chloro-5-[methyl-[(2-methylpropan-2-yl)oxycarbonylamino]carbamoyl]pyridine-4-carboxylate
CID 167022503
diethyl 4,5-dichlorobenzene-1,2-dicarboxylate
CID 10517655
ethyl 6-chloro-4-[(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylate
CID 86657942
ethyl 6-chloro-4-[[(1S)-3-fluorocyclopentyl]amino]pyridine-3-carboxylate
CID 118206480
ethyl 6-chloro-4-naphthalen-1-yloxypyridine-3-carboxylate
CID 86634720
ethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate
CID 122705836
diethyl 5-chloropyridine-2,3-dicarboxylate
CID 14097638

Frequently Asked Questions

What is the IUPAC name of ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate?
The IUPAC name of ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate (CID 163257915) is ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate.
What is the SMILES notation for ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate?
The canonical SMILES for ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate is CCOC(=O)c1cc(Cl)ncc1C(=O)Cl.
What is the InChIKey of ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate?
The InChIKey is RSKYHWULWSTUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO3/c1-2-15-9(14)5-3-7(10)12-4-6(5)8(11)13/h3-4H,2H2,1H3.
What are the key properties of ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate?
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate has a molecular weight of 248.06 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate is sourced from PubChem (CID 163257915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).