6-[(5-bromo-2-pyridinyl)amino]hexanoic acid

C11H15BrN2O2 — CID 24704054

IUPAC6-[(5-bromo-2-pyridinyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNc1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2O2/c12-9-5-6-10(14-8-9)13-7-3-1-2-4-11(15)16/h5-6,8H,1-4,7H2,(H,13,14)(H,15,16)
InChIKeyKDBVNHBMXXFWNJ-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.90
Rot. Bonds7

About 6-[(5-bromo-2-pyridinyl)amino]hexanoic acid

6-[(5-bromo-2-pyridinyl)amino]hexanoic acid (PubChem CID 24704054) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 6-[(5-bromo-2-pyridinyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(5-bromo-2-pyridinyl)amino]hexanoic acid
PubChem CID24704054
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name6-[(5-bromo-2-pyridinyl)amino]hexanoic acid
SMILESO=C(O)CCCCCNc1ccc(Br)cn1
InChIInChI=1S/C11H15BrN2O2/c12-9-5-6-10(14-8-9)13-7-3-1-2-4-11(15)16/h5-6,8H,1-4,7H2,(H,13,14)(H,15,16)
InChIKeyKDBVNHBMXXFWNJ-UHFFFAOYSA-N
XLogP2.90
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.90
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

7-[(5-bromo-2-pyridinyl)amino]heptanoic acid
CID 24701669
5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid
CID 764849
4-[(5-chloro-2-pyridinyl)amino]butanoic acid
CID 24698899
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151
3-[(5-bromo-2-pyridinyl)amino]propyl hydrogen sulfite
CID 174853714
6-[(6-methylpyridazin-3-yl)amino]hexanoic acid
CID 114987459
5-bromo-N-pent-4-ynylpyridin-2-amine
CID 103704439
4-bromo-N-[6-[(5-bromo-2-pyridinyl)amino]-6-oxohexyl]benzamide
CID 126478002
7-(4-bromo-2-carbamoylanilino)heptanoic acid
CID 114889974
5-[(3-bromoquinolin-8-yl)amino]pentanoic acid
CID 116784480
6-[(4-methyl-2-pyridinyl)amino]hexanoic acid
CID 18518012
4-[[5-(4-bromophenyl)pyrimidin-2-yl]amino]butanoic acid
CID 116975177

Frequently Asked Questions

What is the IUPAC name of 6-[(5-bromo-2-pyridinyl)amino]hexanoic acid?
The IUPAC name of 6-[(5-bromo-2-pyridinyl)amino]hexanoic acid (CID 24704054) is 6-[(5-bromo-2-pyridinyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(5-bromo-2-pyridinyl)amino]hexanoic acid?
The canonical SMILES for 6-[(5-bromo-2-pyridinyl)amino]hexanoic acid is O=C(O)CCCCCNc1ccc(Br)cn1.
What is the InChIKey of 6-[(5-bromo-2-pyridinyl)amino]hexanoic acid?
The InChIKey is KDBVNHBMXXFWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c12-9-5-6-10(14-8-9)13-7-3-1-2-4-11(15)16/h5-6,8H,1-4,7H2,(H,13,14)(H,15,16).
What are the key properties of 6-[(5-bromo-2-pyridinyl)amino]hexanoic acid?
6-[(5-bromo-2-pyridinyl)amino]hexanoic acid has a molecular weight of 287.16 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-bromo-2-pyridinyl)amino]hexanoic acid is sourced from PubChem (CID 24704054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).