ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate

C10H13ClN2O2 — CID 102824081

IUPACethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1ccnc(Cl)c1
InChIInChI=1S/C10H13ClN2O2/c1-3-15-10(14)7(2)13-8-4-5-12-9(11)6-8/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeyFGMLDJOECMRCQB-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.10
Rot. Bonds4

About ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate

ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate (PubChem CID 102824081) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate
PubChem CID102824081
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Nameethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1ccnc(Cl)c1
InChIInChI=1S/C10H13ClN2O2/c1-3-15-10(14)7(2)13-8-4-5-12-9(11)6-8/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeyFGMLDJOECMRCQB-UHFFFAOYSA-N
XLogP2.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.10
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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Related Compounds

ethyl 2-[(2-cyano-4-pyridinyl)amino]propanoate
CID 62925360
2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide
CID 102824371
2-[(2-chloro-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103112969
ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 47368209
ethyl (2R)-2-(3-methylanilino)propanoate
CID 102078711
N-benzyl-2-[(2-chloro-4-pyridinyl)amino]propanamide
CID 133360082
2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-4-amine
CID 103269905
ethyl 2-[(2-chloro-4-pyridinyl)carbamoylamino]acetate
CID 134101188
2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine
CID 115486493
ethyl 2-[3,4-bis(trifluoromethyl)anilino]propanoate
CID 86652692
ethyl (2S)-2-[(2-deuterio-1,3-benzothiazol-6-yl)amino]propanoate
CID 57195430
ethyl 2-(4-acetylanilino)propanoate
CID 62004850

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate?
The IUPAC name of ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate (CID 102824081) is ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate is CCOC(=O)C(C)Nc1ccnc(Cl)c1.
What is the InChIKey of ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate?
The InChIKey is FGMLDJOECMRCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-3-15-10(14)7(2)13-8-4-5-12-9(11)6-8/h4-7H,3H2,1-2H3,(H,12,13).
What are the key properties of ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate?
ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate has a molecular weight of 228.68 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate is sourced from PubChem (CID 102824081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).