3-bromo-5-chloro-2-(3,3-dimethylpiperidin-1-yl)pyridine

C12H16BrClN2 — CID 114837131

IUPAC3-bromo-5-chloro-2-(3,3-dimethylpiperidin-1-yl)pyridine
SMILESCC1(C)CCCN(c2ncc(Cl)cc2Br)C1
InChIInChI=1S/C12H16BrClN2/c1-12(2)4-3-5-16(8-12)11-10(13)6-9(14)7-15-11/h6-7H,3-5,8H2,1-2H3
InChIKeyBRLHWDVTCKJYTA-UHFFFAOYSA-N
MW303.63 g/mol
LogP4.12
Rot. Bonds1

About 3-bromo-5-chloro-2-(3,3-dimethylpiperidin-1-yl)pyridine

3-bromo-5-chloro-2-(3,3-dimethylpiperidin-1-yl)pyridine (PubChem CID 114837131) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-(3,3-dimethylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3-bromo-5-chloro-2-(3,3-dimethylpiperidin-1-yl)pyridine
PubChem CID114837131
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name3-bromo-5-chloro-2-(3,3-dimethylpiperidin-1-yl)pyridine
SMILESCC1(C)CCCN(c2ncc(Cl)cc2Br)C1
InChIInChI=1S/C12H16BrClN2/c1-12(2)4-3-5-16(8-12)11-10(13)6-9(14)7-15-11/h6-7H,3-5,8H2,1-2H3
InChIKeyBRLHWDVTCKJYTA-UHFFFAOYSA-N
XLogP4.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-(3,3-dimethylpiperidin-1-yl)pyridine?
The IUPAC name of 3-bromo-5-chloro-2-(3,3-dimethylpiperidin-1-yl)pyridine (CID 114837131) is 3-bromo-5-chloro-2-(3,3-dimethylpiperidin-1-yl)pyridine.
What is the SMILES notation for 3-bromo-5-chloro-2-(3,3-dimethylpiperidin-1-yl)pyridine?
The canonical SMILES for 3-bromo-5-chloro-2-(3,3-dimethylpiperidin-1-yl)pyridine is CC1(C)CCCN(c2ncc(Cl)cc2Br)C1.
What is the InChIKey of 3-bromo-5-chloro-2-(3,3-dimethylpiperidin-1-yl)pyridine?
The InChIKey is BRLHWDVTCKJYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c1-12(2)4-3-5-16(8-12)11-10(13)6-9(14)7-15-11/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 3-bromo-5-chloro-2-(3,3-dimethylpiperidin-1-yl)pyridine?
3-bromo-5-chloro-2-(3,3-dimethylpiperidin-1-yl)pyridine has a molecular weight of 303.63 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-(3,3-dimethylpiperidin-1-yl)pyridine is sourced from PubChem (CID 114837131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).