ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate

C10H12BrClN2O2 — CID 114835797

IUPACethyl 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1ncc(Cl)cc1Br
InChIInChI=1S/C10H12BrClN2O2/c1-3-16-10(15)6(2)14-9-8(11)4-7(12)5-13-9/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyAYIRXMRWWNFMSM-UHFFFAOYSA-N
MW307.58 g/mol
LogP2.86
Rot. Bonds4

About ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate

ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate (PubChem CID 114835797) has the molecular formula C10H12BrClN2O2 and a molecular weight of 307.58 g/mol. Its IUPAC name is ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate
PubChem CID114835797
Molecular FormulaC10H12BrClN2O2
Molecular Weight307.58 g/mol
Exact Mass305.98
IUPAC Nameethyl 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1ncc(Cl)cc1Br
InChIInChI=1S/C10H12BrClN2O2/c1-3-16-10(15)6(2)14-9-8(11)4-7(12)5-13-9/h4-6H,3H2,1-2H3,(H,13,14)
InChIKeyAYIRXMRWWNFMSM-UHFFFAOYSA-N
XLogP2.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.58
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanamide
CID 114835671
2-[(3-bromo-5-chloro-2-pyridinyl)amino]propan-1-ol
CID 114835661
3-bromo-5-chloro-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 114835785
methyl 2-[(3,5-dichloro-2-pyridinyl)amino]propanoate
CID 43515153
ethyl 2-[(5-amino-3-cyano-2-pyridinyl)amino]propanoate
CID 54960433
3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
3-bromo-5-chloro-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 114835656
2-N-(3-bromo-5-chloro-2-pyridinyl)-4-methylpentane-1,2-diamine
CID 114836303
3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine
CID 114836115
3-bromo-5-chloro-N-(1-chloro-4-methylpentan-2-yl)pyridin-2-amine
CID 114838487
3-bromo-5-chloro-N-(6-methylheptan-2-yl)pyridin-2-amine
CID 114835786
ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate
CID 102824081

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate?
The IUPAC name of ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate (CID 114835797) is ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate is CCOC(=O)C(C)Nc1ncc(Cl)cc1Br.
What is the InChIKey of ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate?
The InChIKey is AYIRXMRWWNFMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O2/c1-3-16-10(15)6(2)14-9-8(11)4-7(12)5-13-9/h4-6H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate?
ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate has a molecular weight of 307.58 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate is sourced from PubChem (CID 114835797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).