6-chloro-2-N-(2-methoxycyclopentyl)pyridine-2,3-diamine

C11H16ClN3O — CID 115474051

IUPAC6-chloro-2-N-(2-methoxycyclopentyl)pyridine-2,3-diamine
SMILESCOC1CCCC1Nc1nc(Cl)ccc1N
InChIInChI=1S/C11H16ClN3O/c1-16-9-4-2-3-8(9)14-11-7(13)5-6-10(12)15-11/h5-6,8-9H,2-4,13H2,1H3,(H,14,15)
InChIKeyNNZGBHQDLBTEOP-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.30
Rot. Bonds3

About 6-chloro-2-N-(2-methoxycyclopentyl)pyridine-2,3-diamine

6-chloro-2-N-(2-methoxycyclopentyl)pyridine-2,3-diamine (PubChem CID 115474051) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 6-chloro-2-N-(2-methoxycyclopentyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2-methoxycyclopentyl)pyridine-2,3-diamine
PubChem CID115474051
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name6-chloro-2-N-(2-methoxycyclopentyl)pyridine-2,3-diamine
SMILESCOC1CCCC1Nc1nc(Cl)ccc1N
InChIInChI=1S/C11H16ClN3O/c1-16-9-4-2-3-8(9)14-11-7(13)5-6-10(12)15-11/h5-6,8-9H,2-4,13H2,1H3,(H,14,15)
InChIKeyNNZGBHQDLBTEOP-UHFFFAOYSA-N
XLogP2.30
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2-methoxycyclopentyl)pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-(2-methoxycyclopentyl)pyridine-2,3-diamine (CID 115474051) is 6-chloro-2-N-(2-methoxycyclopentyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-(2-methoxycyclopentyl)pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-(2-methoxycyclopentyl)pyridine-2,3-diamine is COC1CCCC1Nc1nc(Cl)ccc1N.
What is the InChIKey of 6-chloro-2-N-(2-methoxycyclopentyl)pyridine-2,3-diamine?
The InChIKey is NNZGBHQDLBTEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-16-9-4-2-3-8(9)14-11-7(13)5-6-10(12)15-11/h5-6,8-9H,2-4,13H2,1H3,(H,14,15).
What are the key properties of 6-chloro-2-N-(2-methoxycyclopentyl)pyridine-2,3-diamine?
6-chloro-2-N-(2-methoxycyclopentyl)pyridine-2,3-diamine has a molecular weight of 241.72 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2-methoxycyclopentyl)pyridine-2,3-diamine is sourced from PubChem (CID 115474051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).