methyl 4-amino-6-chloropyridine-3-carboxylate

C7H7ClN2O2 — CID 70700550

IUPACmethyl 4-amino-6-chloropyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Cl)cc1N
InChIInChI=1S/C7H7ClN2O2/c1-12-7(11)4-3-10-6(8)2-5(4)9/h2-3H,1H3,(H2,9,10)
InChIKeyCMIKPJBQKHVWJH-UHFFFAOYSA-N
MW186.60 g/mol
LogP1.10
Rot. Bonds1

About methyl 4-amino-6-chloropyridine-3-carboxylate

methyl 4-amino-6-chloropyridine-3-carboxylate (PubChem CID 70700550) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is methyl 4-amino-6-chloropyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-chloropyridine-3-carboxylate
PubChem CID70700550
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Namemethyl 4-amino-6-chloropyridine-3-carboxylate
SMILESCOC(=O)c1cnc(Cl)cc1N
InChIInChI=1S/C7H7ClN2O2/c1-12-7(11)4-3-10-6(8)2-5(4)9/h2-3H,1H3,(H2,9,10)
InChIKeyCMIKPJBQKHVWJH-UHFFFAOYSA-N
XLogP1.10
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-chloropyridine-3-carboxylate?
The IUPAC name of methyl 4-amino-6-chloropyridine-3-carboxylate (CID 70700550) is methyl 4-amino-6-chloropyridine-3-carboxylate.
What is the SMILES notation for methyl 4-amino-6-chloropyridine-3-carboxylate?
The canonical SMILES for methyl 4-amino-6-chloropyridine-3-carboxylate is COC(=O)c1cnc(Cl)cc1N.
What is the InChIKey of methyl 4-amino-6-chloropyridine-3-carboxylate?
The InChIKey is CMIKPJBQKHVWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c1-12-7(11)4-3-10-6(8)2-5(4)9/h2-3H,1H3,(H2,9,10).
What are the key properties of methyl 4-amino-6-chloropyridine-3-carboxylate?
methyl 4-amino-6-chloropyridine-3-carboxylate has a molecular weight of 186.60 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-chloropyridine-3-carboxylate is sourced from PubChem (CID 70700550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).