6-chloro-2-heptoxypyridin-3-amine

C12H19ClN2O — CID 115474479

IUPAC6-chloro-2-heptoxypyridin-3-amine
SMILESCCCCCCCOc1nc(Cl)ccc1N
InChIInChI=1S/C12H19ClN2O/c1-2-3-4-5-6-9-16-12-10(14)7-8-11(13)15-12/h7-8H,2-6,9,14H2,1H3
InChIKeyBEPVMLVODQGWLP-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.67
Rot. Bonds7

About 6-chloro-2-heptoxypyridin-3-amine

6-chloro-2-heptoxypyridin-3-amine (PubChem CID 115474479) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 6-chloro-2-heptoxypyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-heptoxypyridin-3-amine
PubChem CID115474479
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name6-chloro-2-heptoxypyridin-3-amine
SMILESCCCCCCCOc1nc(Cl)ccc1N
InChIInChI=1S/C12H19ClN2O/c1-2-3-4-5-6-9-16-12-10(14)7-8-11(13)15-12/h7-8H,2-6,9,14H2,1H3
InChIKeyBEPVMLVODQGWLP-UHFFFAOYSA-N
XLogP3.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-butoxyethoxy)-6-chloropyridin-3-amine
CID 115474476
6-hexoxy-2-propoxypyridin-3-amine
CID 43262487
6-chloro-2-hexoxypyridine-3-carboxylic acid
CID 63376967
6-heptoxy-2-(2-methylpropoxy)pyridin-3-amine
CID 43262506
2-(cyclopropylmethoxy)-6-heptoxypyridin-3-amine
CID 43262507
5-amino-6-butoxypyridine-2-carboxylic acid
CID 114408773
6-chloro-2-(4-propylphenoxy)pyridin-3-amine
CID 115474531
2-N-cyclopropyl-6-propoxypyridine-2,5-diamine
CID 43260902
2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine
CID 63402628
2,3-didodecoxyquinoxaline
CID 139934452
6-methoxy-2-propoxypyridin-3-amine
CID 43261942
4-hexoxypyrimidin-5-amine
CID 79916301

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-heptoxypyridin-3-amine?
The IUPAC name of 6-chloro-2-heptoxypyridin-3-amine (CID 115474479) is 6-chloro-2-heptoxypyridin-3-amine.
What is the SMILES notation for 6-chloro-2-heptoxypyridin-3-amine?
The canonical SMILES for 6-chloro-2-heptoxypyridin-3-amine is CCCCCCCOc1nc(Cl)ccc1N.
What is the InChIKey of 6-chloro-2-heptoxypyridin-3-amine?
The InChIKey is BEPVMLVODQGWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-2-3-4-5-6-9-16-12-10(14)7-8-11(13)15-12/h7-8H,2-6,9,14H2,1H3.
What are the key properties of 6-chloro-2-heptoxypyridin-3-amine?
6-chloro-2-heptoxypyridin-3-amine has a molecular weight of 242.75 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-heptoxypyridin-3-amine is sourced from PubChem (CID 115474479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).