ethyl 2-amino-4-chloro-1H-pyridine-2-carboxylate

C8H11ClN2O2 — CID 70006310

IUPACethyl 2-amino-4-chloro-1H-pyridine-2-carboxylate
SMILESCCOC(=O)C1(N)C=C(Cl)C=CN1
InChIInChI=1S/C8H11ClN2O2/c1-2-13-7(12)8(10)5-6(9)3-4-11-8/h3-5,11H,2,10H2,1H3
InChIKeyHFARGRKXXMIIAF-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.44
Rot. Bonds2

About ethyl 2-amino-4-chloro-1H-pyridine-2-carboxylate

ethyl 2-amino-4-chloro-1H-pyridine-2-carboxylate (PubChem CID 70006310) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is ethyl 2-amino-4-chloro-1H-pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-chloro-1H-pyridine-2-carboxylate
PubChem CID70006310
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Nameethyl 2-amino-4-chloro-1H-pyridine-2-carboxylate
SMILESCCOC(=O)C1(N)C=C(Cl)C=CN1
InChIInChI=1S/C8H11ClN2O2/c1-2-13-7(12)8(10)5-6(9)3-4-11-8/h3-5,11H,2,10H2,1H3
InChIKeyHFARGRKXXMIIAF-UHFFFAOYSA-N
XLogP0.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-chloro-1H-pyridine-2-carboxylate?
The IUPAC name of ethyl 2-amino-4-chloro-1H-pyridine-2-carboxylate (CID 70006310) is ethyl 2-amino-4-chloro-1H-pyridine-2-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-chloro-1H-pyridine-2-carboxylate?
The canonical SMILES for ethyl 2-amino-4-chloro-1H-pyridine-2-carboxylate is CCOC(=O)C1(N)C=C(Cl)C=CN1.
What is the InChIKey of ethyl 2-amino-4-chloro-1H-pyridine-2-carboxylate?
The InChIKey is HFARGRKXXMIIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-2-13-7(12)8(10)5-6(9)3-4-11-8/h3-5,11H,2,10H2,1H3.
What are the key properties of ethyl 2-amino-4-chloro-1H-pyridine-2-carboxylate?
ethyl 2-amino-4-chloro-1H-pyridine-2-carboxylate has a molecular weight of 202.64 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-chloro-1H-pyridine-2-carboxylate is sourced from PubChem (CID 70006310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).