ethyl 6-amino-5-chloropyridine-2-carboxylate

C8H9ClN2O2 — CID 138112595

IUPACethyl 6-amino-5-chloropyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(Cl)c(N)n1
InChIInChI=1S/C8H9ClN2O2/c1-2-13-8(12)6-4-3-5(9)7(10)11-6/h3-4H,2H2,1H3,(H2,10,11)
InChIKeyRRJOMIYJCSDDDV-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.49
Rot. Bonds2

About ethyl 6-amino-5-chloropyridine-2-carboxylate

ethyl 6-amino-5-chloropyridine-2-carboxylate (PubChem CID 138112595) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is ethyl 6-amino-5-chloropyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-5-chloropyridine-2-carboxylate
PubChem CID138112595
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Nameethyl 6-amino-5-chloropyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(Cl)c(N)n1
InChIInChI=1S/C8H9ClN2O2/c1-2-13-8(12)6-4-3-5(9)7(10)11-6/h3-4H,2H2,1H3,(H2,10,11)
InChIKeyRRJOMIYJCSDDDV-UHFFFAOYSA-N
XLogP1.49
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-bromo-5-chloropyridine-2-carboxylate
CID 46311447
ethyl 6-amino-5-hydroxypyridine-2-carboxylate
CID 126988656
ethyl 5-chloro-6-(trifluoromethyl)pyridine-2-carboxylate
CID 133097674
ethyl 6-chloro-5-fluoropyridine-2-carboxylate
CID 46311494
ethyl 3,6-dichloro-2-hydroxybenzoate
CID 130788208
ethyl 6-bromo-5-hydroxypyridine-2-carboxylate
CID 117272848
diethyl 3-chloro-1H-pyrrolo[2,3-b]pyridine-2,6-dicarboxylate
CID 130338818
diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
CID 137333254
ethyl 5-amino-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 171028937
ethyl 2-chloro-6-methylpyrimidine-4-carboxylate
CID 2736385
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
ethyl 6-methyl-5-(2-methylprop-1-enyl)pyridine-2-carboxylate
CID 67026997

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-5-chloropyridine-2-carboxylate?
The IUPAC name of ethyl 6-amino-5-chloropyridine-2-carboxylate (CID 138112595) is ethyl 6-amino-5-chloropyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-amino-5-chloropyridine-2-carboxylate?
The canonical SMILES for ethyl 6-amino-5-chloropyridine-2-carboxylate is CCOC(=O)c1ccc(Cl)c(N)n1.
What is the InChIKey of ethyl 6-amino-5-chloropyridine-2-carboxylate?
The InChIKey is RRJOMIYJCSDDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-2-13-8(12)6-4-3-5(9)7(10)11-6/h3-4H,2H2,1H3,(H2,10,11).
What are the key properties of ethyl 6-amino-5-chloropyridine-2-carboxylate?
ethyl 6-amino-5-chloropyridine-2-carboxylate has a molecular weight of 200.62 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-5-chloropyridine-2-carboxylate is sourced from PubChem (CID 138112595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).