4-[(5-chloro-2-pyridinyl)amino]butanoic acid

C9H11ClN2O2 — CID 24698899

IUPAC4-[(5-chloro-2-pyridinyl)amino]butanoic acid
SMILESO=C(O)CCCNc1ccc(Cl)cn1
InChIInChI=1S/C9H11ClN2O2/c10-7-3-4-8(12-6-7)11-5-1-2-9(13)14/h3-4,6H,1-2,5H2,(H,11,12)(H,13,14)
InChIKeyJTXAIKPICXXYQX-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.01
Rot. Bonds5

About 4-[(5-chloro-2-pyridinyl)amino]butanoic acid

4-[(5-chloro-2-pyridinyl)amino]butanoic acid (PubChem CID 24698899) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(5-chloro-2-pyridinyl)amino]butanoic acid
PubChem CID24698899
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name4-[(5-chloro-2-pyridinyl)amino]butanoic acid
SMILESO=C(O)CCCNc1ccc(Cl)cn1
InChIInChI=1S/C9H11ClN2O2/c10-7-3-4-8(12-6-7)11-5-1-2-9(13)14/h3-4,6H,1-2,5H2,(H,11,12)(H,13,14)
InChIKeyJTXAIKPICXXYQX-UHFFFAOYSA-N
XLogP2.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(5-chloro-2-pyridinyl)amino]propan-1-ol
CID 29043106
7-[(5-bromo-2-pyridinyl)amino]heptanoic acid
CID 24701669
6-[(5-bromo-2-pyridinyl)amino]hexanoic acid
CID 24704054
N'-(5-chloro-2-pyridinyl)pentane-1,5-diamine
CID 107323387
5-chloro-N-(3-phenylpropyl)pyridin-2-amine
CID 54931106
N'-(5-chloro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 18507461
N-[3-[(5-chloro-2-pyridinyl)amino]propyl]methanesulfonamide
CID 103704919
4-[(5-acetyl-2-pyridinyl)amino]butanoic acid;2,2,2-trifluoroacetic acid
CID 118105976
3-[(5-chloro-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82316740
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151
4-[(6-amino-3-pyridinyl)amino]butanoic acid
CID 117044632
5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 62993016

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)amino]butanoic acid?
The IUPAC name of 4-[(5-chloro-2-pyridinyl)amino]butanoic acid (CID 24698899) is 4-[(5-chloro-2-pyridinyl)amino]butanoic acid.
What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)amino]butanoic acid?
The canonical SMILES for 4-[(5-chloro-2-pyridinyl)amino]butanoic acid is O=C(O)CCCNc1ccc(Cl)cn1.
What is the InChIKey of 4-[(5-chloro-2-pyridinyl)amino]butanoic acid?
The InChIKey is JTXAIKPICXXYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-7-3-4-8(12-6-7)11-5-1-2-9(13)14/h3-4,6H,1-2,5H2,(H,11,12)(H,13,14).
What are the key properties of 4-[(5-chloro-2-pyridinyl)amino]butanoic acid?
4-[(5-chloro-2-pyridinyl)amino]butanoic acid has a molecular weight of 214.65 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-pyridinyl)amino]butanoic acid is sourced from PubChem (CID 24698899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).