ethyl 2-amino-3-(2-chloro-4-iodo-3-pyridinyl)propanoate

C10H12ClIN2O2 — CID 170884948

IUPACethyl 2-amino-3-(2-chloro-4-iodo-3-pyridinyl)propanoate
SMILESCCOC(=O)C(N)Cc1c(I)ccnc1Cl
InChIInChI=1S/C10H12ClIN2O2/c1-2-16-10(15)8(13)5-6-7(12)3-4-14-9(6)11/h3-4,8H,2,5,13H2,1H3
InChIKeyAJJDVVNUZPOHBB-UHFFFAOYSA-N
MW354.58 g/mol
LogP1.77
Rot. Bonds4

About ethyl 2-amino-3-(2-chloro-4-iodo-3-pyridinyl)propanoate

ethyl 2-amino-3-(2-chloro-4-iodo-3-pyridinyl)propanoate (PubChem CID 170884948) has the molecular formula C10H12ClIN2O2 and a molecular weight of 354.58 g/mol. Its IUPAC name is ethyl 2-amino-3-(2-chloro-4-iodo-3-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2-chloro-4-iodo-3-pyridinyl)propanoate
PubChem CID170884948
Molecular FormulaC10H12ClIN2O2
Molecular Weight354.58 g/mol
Exact Mass353.96
IUPAC Nameethyl 2-amino-3-(2-chloro-4-iodo-3-pyridinyl)propanoate
SMILESCCOC(=O)C(N)Cc1c(I)ccnc1Cl
InChIInChI=1S/C10H12ClIN2O2/c1-2-16-10(15)8(13)5-6-7(12)3-4-14-9(6)11/h3-4,8H,2,5,13H2,1H3
InChIKeyAJJDVVNUZPOHBB-UHFFFAOYSA-N
XLogP1.77
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-3-(10-chloroanthracen-9-yl)propanoate
CID 170885096
ethyl 2-amino-3-(6-amino-2,3-dichlorophenyl)propanoate
CID 131698761
ethyl 2-[2-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 133088379
(1R)-1-(2-chloro-4-iodo-3-pyridinyl)propan-1-amine
CID 130647349
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
ethyl (2R)-2-amino-3-pyridin-2-ylpropanoate
CID 57496737
diethyl 2-(2-chloro-3-pyridinyl)propanedioate
CID 141446952
ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate
CID 11043551
ethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate
CID 66518197
ethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate
CID 124559660
ethyl 2-amino-3-[2-chloro-4-methyl-6-(trifluoromethyl)-3-pyridinyl]propanoate
CID 168844177
ethyl 2-amino-3-(10-methylanthracen-9-yl)propanoate
CID 170885097

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2-chloro-4-iodo-3-pyridinyl)propanoate?
The IUPAC name of ethyl 2-amino-3-(2-chloro-4-iodo-3-pyridinyl)propanoate (CID 170884948) is ethyl 2-amino-3-(2-chloro-4-iodo-3-pyridinyl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(2-chloro-4-iodo-3-pyridinyl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(2-chloro-4-iodo-3-pyridinyl)propanoate is CCOC(=O)C(N)Cc1c(I)ccnc1Cl.
What is the InChIKey of ethyl 2-amino-3-(2-chloro-4-iodo-3-pyridinyl)propanoate?
The InChIKey is AJJDVVNUZPOHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClIN2O2/c1-2-16-10(15)8(13)5-6-7(12)3-4-14-9(6)11/h3-4,8H,2,5,13H2,1H3.
What are the key properties of ethyl 2-amino-3-(2-chloro-4-iodo-3-pyridinyl)propanoate?
ethyl 2-amino-3-(2-chloro-4-iodo-3-pyridinyl)propanoate has a molecular weight of 354.58 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2-chloro-4-iodo-3-pyridinyl)propanoate is sourced from PubChem (CID 170884948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).