7-[(5-bromo-2-pyridinyl)amino]heptanoic acid

C12H17BrN2O2 — CID 24701669

IUPAC7-[(5-bromo-2-pyridinyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNc1ccc(Br)cn1
InChIInChI=1S/C12H17BrN2O2/c13-10-6-7-11(15-9-10)14-8-4-2-1-3-5-12(16)17/h6-7,9H,1-5,8H2,(H,14,15)(H,16,17)
InChIKeyZJGNAPYQUDRTCB-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.29
Rot. Bonds8

About 7-[(5-bromo-2-pyridinyl)amino]heptanoic acid

7-[(5-bromo-2-pyridinyl)amino]heptanoic acid (PubChem CID 24701669) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 7-[(5-bromo-2-pyridinyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(5-bromo-2-pyridinyl)amino]heptanoic acid
PubChem CID24701669
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name7-[(5-bromo-2-pyridinyl)amino]heptanoic acid
SMILESO=C(O)CCCCCCNc1ccc(Br)cn1
InChIInChI=1S/C12H17BrN2O2/c13-10-6-7-11(15-9-10)14-8-4-2-1-3-5-12(16)17/h6-7,9H,1-5,8H2,(H,14,15)(H,16,17)
InChIKeyZJGNAPYQUDRTCB-UHFFFAOYSA-N
XLogP3.29
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.29
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

6-[(5-bromo-2-pyridinyl)amino]hexanoic acid
CID 24704054
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 7-[(5-bromo-2-pyridinyl)amino]heptanoic acid?
The IUPAC name of 7-[(5-bromo-2-pyridinyl)amino]heptanoic acid (CID 24701669) is 7-[(5-bromo-2-pyridinyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(5-bromo-2-pyridinyl)amino]heptanoic acid?
The canonical SMILES for 7-[(5-bromo-2-pyridinyl)amino]heptanoic acid is O=C(O)CCCCCCNc1ccc(Br)cn1.
What is the InChIKey of 7-[(5-bromo-2-pyridinyl)amino]heptanoic acid?
The InChIKey is ZJGNAPYQUDRTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c13-10-6-7-11(15-9-10)14-8-4-2-1-3-5-12(16)17/h6-7,9H,1-5,8H2,(H,14,15)(H,16,17).
What are the key properties of 7-[(5-bromo-2-pyridinyl)amino]heptanoic acid?
7-[(5-bromo-2-pyridinyl)amino]heptanoic acid has a molecular weight of 301.18 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-bromo-2-pyridinyl)amino]heptanoic acid is sourced from PubChem (CID 24701669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).