5-bromo-6-heptoxypyridin-3-amine

C12H19BrN2O — CID 79535566

IUPAC5-bromo-6-heptoxypyridin-3-amine
SMILESCCCCCCCOc1ncc(N)cc1Br
InChIInChI=1S/C12H19BrN2O/c1-2-3-4-5-6-7-16-12-11(13)8-10(14)9-15-12/h8-9H,2-7,14H2,1H3
InChIKeyGZQNFLBIPCMVBT-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.78
Rot. Bonds7

About 5-bromo-6-heptoxypyridin-3-amine

5-bromo-6-heptoxypyridin-3-amine (PubChem CID 79535566) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 5-bromo-6-heptoxypyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-heptoxypyridin-3-amine
PubChem CID79535566
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name5-bromo-6-heptoxypyridin-3-amine
SMILESCCCCCCCOc1ncc(N)cc1Br
InChIInChI=1S/C12H19BrN2O/c1-2-3-4-5-6-7-16-12-11(13)8-10(14)9-15-12/h8-9H,2-7,14H2,1H3
InChIKeyGZQNFLBIPCMVBT-UHFFFAOYSA-N
XLogP3.78
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-6-heptoxypyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-6-(2-ethoxyethoxy)pyridin-3-amine
CID 79534577
5-bromo-6-[2-(dimethylamino)ethoxy]pyridin-3-amine;ethane
CID 143903964
5-bromo-6-(3-methoxy-3-methylbutoxy)pyridin-3-amine
CID 106664894
5-bromo-4-hexoxypyridin-2-amine
CID 153440558
2-octoxypyrimidin-5-amine
CID 61145971
5-octoxypyridin-3-amine
CID 104536057
2-(2-butoxyethoxy)pyridine-3,5-diamine
CID 19913402
4-bromo-3-heptoxyaniline
CID 103008551
1,2-dibromo-4,5-didecoxybenzene
CID 71339465
3-bromo-5-octoxyaniline
CID 103588114
4-hexoxypyrimidin-5-amine
CID 79916301
(5-bromo-4-pentoxypyrimidin-2-yl)hydrazine
CID 80911741

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-heptoxypyridin-3-amine?
The IUPAC name of 5-bromo-6-heptoxypyridin-3-amine (CID 79535566) is 5-bromo-6-heptoxypyridin-3-amine.
What is the SMILES notation for 5-bromo-6-heptoxypyridin-3-amine?
The canonical SMILES for 5-bromo-6-heptoxypyridin-3-amine is CCCCCCCOc1ncc(N)cc1Br.
What is the InChIKey of 5-bromo-6-heptoxypyridin-3-amine?
The InChIKey is GZQNFLBIPCMVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-2-3-4-5-6-7-16-12-11(13)8-10(14)9-15-12/h8-9H,2-7,14H2,1H3.
What are the key properties of 5-bromo-6-heptoxypyridin-3-amine?
5-bromo-6-heptoxypyridin-3-amine has a molecular weight of 287.20 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-heptoxypyridin-3-amine is sourced from PubChem (CID 79535566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).