ethyl 2-[(6-chloro-4-cyano-2-pyridinyl)amino]acetate

C10H10ClN3O2 — CID 83074601

IUPACethyl 2-[(6-chloro-4-cyano-2-pyridinyl)amino]acetate
SMILESCCOC(=O)CNc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C10H10ClN3O2/c1-2-16-10(15)6-13-9-4-7(5-12)3-8(11)14-9/h3-4H,2,6H2,1H3,(H,13,14)
InChIKeySIXVSSPMSUJDEQ-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.58
Rot. Bonds4

About ethyl 2-[(6-chloro-4-cyano-2-pyridinyl)amino]acetate

ethyl 2-[(6-chloro-4-cyano-2-pyridinyl)amino]acetate (PubChem CID 83074601) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is ethyl 2-[(6-chloro-4-cyano-2-pyridinyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-chloro-4-cyano-2-pyridinyl)amino]acetate
PubChem CID83074601
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Nameethyl 2-[(6-chloro-4-cyano-2-pyridinyl)amino]acetate
SMILESCCOC(=O)CNc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C10H10ClN3O2/c1-2-16-10(15)6-13-9-4-7(5-12)3-8(11)14-9/h3-4H,2,6H2,1H3,(H,13,14)
InChIKeySIXVSSPMSUJDEQ-UHFFFAOYSA-N
XLogP1.58
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile
CID 106196714
2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile
CID 106195561
2-[2-[(6-chloro-4-cyano-2-pyridinyl)amino]ethoxy]acetamide
CID 106240014
2-chloro-6-[(2,3-dihydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 83076925
ethyl 3-[(6-chloro-2-methylpyrimidin-4-yl)amino]propanoate
CID 62481737
ethyl 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]acetate
CID 3851603
methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate
CID 114765934
2-chloro-6-(3-methylbut-2-enylamino)pyridine-4-carbonitrile
CID 106197214
2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide
CID 83073416
2-chloro-6-(3-hydroxybutylamino)pyridine-4-carbonitrile
CID 83077171
2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 83072628
ethyl 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80789524

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-chloro-4-cyano-2-pyridinyl)amino]acetate?
The IUPAC name of ethyl 2-[(6-chloro-4-cyano-2-pyridinyl)amino]acetate (CID 83074601) is ethyl 2-[(6-chloro-4-cyano-2-pyridinyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(6-chloro-4-cyano-2-pyridinyl)amino]acetate?
The canonical SMILES for ethyl 2-[(6-chloro-4-cyano-2-pyridinyl)amino]acetate is CCOC(=O)CNc1cc(C#N)cc(Cl)n1.
What is the InChIKey of ethyl 2-[(6-chloro-4-cyano-2-pyridinyl)amino]acetate?
The InChIKey is SIXVSSPMSUJDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-2-16-10(15)6-13-9-4-7(5-12)3-8(11)14-9/h3-4H,2,6H2,1H3,(H,13,14).
What are the key properties of ethyl 2-[(6-chloro-4-cyano-2-pyridinyl)amino]acetate?
ethyl 2-[(6-chloro-4-cyano-2-pyridinyl)amino]acetate has a molecular weight of 239.66 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-chloro-4-cyano-2-pyridinyl)amino]acetate is sourced from PubChem (CID 83074601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).