3-(azepan-4-yl)-5-chloropyridin-2-amine

C11H16ClN3 — CID 83261814

IUPAC3-(azepan-4-yl)-5-chloropyridin-2-amine
SMILESNc1ncc(Cl)cc1C1CCCNCC1
InChIInChI=1S/C11H16ClN3/c12-9-6-10(11(13)15-7-9)8-2-1-4-14-5-3-8/h6-8,14H,1-5H2,(H2,13,15)
InChIKeyNGHRVEHXMGMJMQ-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.17
Rot. Bonds1

About 3-(azepan-4-yl)-5-chloropyridin-2-amine

3-(azepan-4-yl)-5-chloropyridin-2-amine (PubChem CID 83261814) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-(azepan-4-yl)-5-chloropyridin-2-amine.

Molecular Properties

Compound Name3-(azepan-4-yl)-5-chloropyridin-2-amine
PubChem CID83261814
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name3-(azepan-4-yl)-5-chloropyridin-2-amine
SMILESNc1ncc(Cl)cc1C1CCCNCC1
InChIInChI=1S/C11H16ClN3/c12-9-6-10(11(13)15-7-9)8-2-1-4-14-5-3-8/h6-8,14H,1-5H2,(H2,13,15)
InChIKeyNGHRVEHXMGMJMQ-UHFFFAOYSA-N
XLogP2.17
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(azepan-4-yl)-5-chloropyridin-2-amine?
The IUPAC name of 3-(azepan-4-yl)-5-chloropyridin-2-amine (CID 83261814) is 3-(azepan-4-yl)-5-chloropyridin-2-amine.
What is the SMILES notation for 3-(azepan-4-yl)-5-chloropyridin-2-amine?
The canonical SMILES for 3-(azepan-4-yl)-5-chloropyridin-2-amine is Nc1ncc(Cl)cc1C1CCCNCC1.
What is the InChIKey of 3-(azepan-4-yl)-5-chloropyridin-2-amine?
The InChIKey is NGHRVEHXMGMJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c12-9-6-10(11(13)15-7-9)8-2-1-4-14-5-3-8/h6-8,14H,1-5H2,(H2,13,15).
What are the key properties of 3-(azepan-4-yl)-5-chloropyridin-2-amine?
3-(azepan-4-yl)-5-chloropyridin-2-amine has a molecular weight of 225.72 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-4-yl)-5-chloropyridin-2-amine is sourced from PubChem (CID 83261814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).