2-chloro-4-(3-methylpiperidin-1-yl)pyridine

C11H15ClN2 — CID 103721685

IUPAC2-chloro-4-(3-methylpiperidin-1-yl)pyridine
SMILESCC1CCCN(c2ccnc(Cl)c2)C1
InChIInChI=1S/C11H15ClN2/c1-9-3-2-6-14(8-9)10-4-5-13-11(12)7-10/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyHWZYFFVDMRKZDW-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.97
Rot. Bonds1

About 2-chloro-4-(3-methylpiperidin-1-yl)pyridine

2-chloro-4-(3-methylpiperidin-1-yl)pyridine (PubChem CID 103721685) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 2-chloro-4-(3-methylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name2-chloro-4-(3-methylpiperidin-1-yl)pyridine
PubChem CID103721685
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name2-chloro-4-(3-methylpiperidin-1-yl)pyridine
SMILESCC1CCCN(c2ccnc(Cl)c2)C1
InChIInChI=1S/C11H15ClN2/c1-9-3-2-6-14(8-9)10-4-5-13-11(12)7-10/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyHWZYFFVDMRKZDW-UHFFFAOYSA-N
XLogP2.97
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-chloro-4-(3-methylpiperidin-1-yl)pyridine?
The IUPAC name of 2-chloro-4-(3-methylpiperidin-1-yl)pyridine (CID 103721685) is 2-chloro-4-(3-methylpiperidin-1-yl)pyridine.
What is the SMILES notation for 2-chloro-4-(3-methylpiperidin-1-yl)pyridine?
The canonical SMILES for 2-chloro-4-(3-methylpiperidin-1-yl)pyridine is CC1CCCN(c2ccnc(Cl)c2)C1.
What is the InChIKey of 2-chloro-4-(3-methylpiperidin-1-yl)pyridine?
The InChIKey is HWZYFFVDMRKZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-9-3-2-6-14(8-9)10-4-5-13-11(12)7-10/h4-5,7,9H,2-3,6,8H2,1H3.
What are the key properties of 2-chloro-4-(3-methylpiperidin-1-yl)pyridine?
2-chloro-4-(3-methylpiperidin-1-yl)pyridine has a molecular weight of 210.71 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-methylpiperidin-1-yl)pyridine is sourced from PubChem (CID 103721685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).