methyl 2-[(3,5-dichloro-2-pyridinyl)amino]propanoate

C9H10Cl2N2O2 — CID 43515153

IUPACmethyl 2-[(3,5-dichloro-2-pyridinyl)amino]propanoate
SMILESCOC(=O)C(C)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2N2O2/c1-5(9(14)15-2)13-8-7(11)3-6(10)4-12-8/h3-5H,1-2H3,(H,12,13)
InChIKeyIGSRNCALEFZKGW-UHFFFAOYSA-N
MW249.10 g/mol
LogP2.36
Rot. Bonds3

About methyl 2-[(3,5-dichloro-2-pyridinyl)amino]propanoate

methyl 2-[(3,5-dichloro-2-pyridinyl)amino]propanoate (PubChem CID 43515153) has the molecular formula C9H10Cl2N2O2 and a molecular weight of 249.10 g/mol. Its IUPAC name is methyl 2-[(3,5-dichloro-2-pyridinyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3,5-dichloro-2-pyridinyl)amino]propanoate
PubChem CID43515153
Molecular FormulaC9H10Cl2N2O2
Molecular Weight249.10 g/mol
Exact Mass248.01
IUPAC Namemethyl 2-[(3,5-dichloro-2-pyridinyl)amino]propanoate
SMILESCOC(=O)C(C)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2N2O2/c1-5(9(14)15-2)13-8-7(11)3-6(10)4-12-8/h3-5H,1-2H3,(H,12,13)
InChIKeyIGSRNCALEFZKGW-UHFFFAOYSA-N
XLogP2.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2,5-dichloropyrimidin-4-yl)amino]propanoate
CID 79632906
methyl 2-[(3-chloro-2-pyridinyl)amino]propanoate
CID 43515165
2-[(5-bromo-3-chloro-2-pyridinyl)amino]propanamide
CID 103582387
2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanamide
CID 114835671
ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate
CID 114835797
methyl 2-[(2-chloro-5-methylpyrimidin-4-yl)amino]propanoate
CID 79076713
2-chloro-N-(3,5-dichloro-2-pyridinyl)propanamide
CID 4583439
methyl (2S)-2-(3,5-dichloroanilino)propanoate
CID 26599088
3,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 66244496
(3,5-dichloro-2-pyridinyl)hydrazine;hydrate
CID 175331134
3,5-dichloro-N-(5-methylhexan-2-yl)pyridin-2-amine
CID 63925501
S-methyl N-(3,5-dichloro-2-pyridinyl)carbamothioate
CID 87838372

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,5-dichloro-2-pyridinyl)amino]propanoate?
The IUPAC name of methyl 2-[(3,5-dichloro-2-pyridinyl)amino]propanoate (CID 43515153) is methyl 2-[(3,5-dichloro-2-pyridinyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(3,5-dichloro-2-pyridinyl)amino]propanoate?
The canonical SMILES for methyl 2-[(3,5-dichloro-2-pyridinyl)amino]propanoate is COC(=O)C(C)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of methyl 2-[(3,5-dichloro-2-pyridinyl)amino]propanoate?
The InChIKey is IGSRNCALEFZKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O2/c1-5(9(14)15-2)13-8-7(11)3-6(10)4-12-8/h3-5H,1-2H3,(H,12,13).
What are the key properties of methyl 2-[(3,5-dichloro-2-pyridinyl)amino]propanoate?
methyl 2-[(3,5-dichloro-2-pyridinyl)amino]propanoate has a molecular weight of 249.10 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,5-dichloro-2-pyridinyl)amino]propanoate is sourced from PubChem (CID 43515153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).