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

C11H14BrClN2 — CID 114682648

IUPAC3-bromo-4-(4-chloro-3-methylpiperidin-1-yl)pyridine
SMILESCC1CN(c2ccncc2Br)CCC1Cl
InChIInChI=1S/C11H14BrClN2/c1-8-7-15(5-3-10(8)13)11-2-4-14-6-9(11)12/h2,4,6,8,10H,3,5,7H2,1H3
InChIKeyMHXDPRTUMVPXFO-UHFFFAOYSA-N
MW289.60 g/mol
LogP3.30
Rot. Bonds1

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

3-bromo-4-(4-chloro-3-methylpiperidin-1-yl)pyridine (PubChem CID 114682648) has the molecular formula C11H14BrClN2 and a molecular weight of 289.60 g/mol. Its IUPAC name is 3-bromo-4-(4-chloro-3-methylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3-bromo-4-(4-chloro-3-methylpiperidin-1-yl)pyridine
PubChem CID114682648
Molecular FormulaC11H14BrClN2
Molecular Weight289.60 g/mol
Exact Mass288.00
IUPAC Name3-bromo-4-(4-chloro-3-methylpiperidin-1-yl)pyridine
SMILESCC1CN(c2ccncc2Br)CCC1Cl
InChIInChI=1S/C11H14BrClN2/c1-8-7-15(5-3-10(8)13)11-2-4-14-6-9(11)12/h2,4,6,8,10H,3,5,7H2,1H3
InChIKeyMHXDPRTUMVPXFO-UHFFFAOYSA-N
XLogP3.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-(3-methylpiperidin-1-yl)pyridine
CID 104777988
(3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine
CID 124595065
(3S)-1-(3-bromo-4-pyridinyl)-3-methylpiperazine
CID 104977557
1-(3-bromo-4-pyridinyl)piperidin-4-ol
CID 104777750
1-[1-(3-bromo-4-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine
CID 104777592
3-bromo-4-(4-methoxypiperidin-1-yl)pyridine
CID 104778046
3-bromo-4-[3-(bromomethyl)piperidin-1-yl]pyridine
CID 104779490
1-(3-bromo-4-pyridinyl)-N,N-dimethylazepan-4-amine
CID 163374943
2-[1-(3-bromo-4-pyridinyl)piperidin-4-yl]-N-methylethanamine
CID 113452072
(3aR,8aS)-6-(3-bromo-4-pyridinyl)-2,3,3a,4,5,7,8,8a-octahydro-1H-pyrrolo[3,4-d]azepine
CID 128843555
1-[1-(3-bromo-4-pyridinyl)azetidin-3-yl]-N-methylmethanamine
CID 131209516
3-bromo-4-(3,6-dihydro-2H-pyridin-1-yl)pyridine
CID 114412429

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-chloro-3-methylpiperidin-1-yl)pyridine?
The IUPAC name of 3-bromo-4-(4-chloro-3-methylpiperidin-1-yl)pyridine (CID 114682648) is 3-bromo-4-(4-chloro-3-methylpiperidin-1-yl)pyridine.
What is the SMILES notation for 3-bromo-4-(4-chloro-3-methylpiperidin-1-yl)pyridine?
The canonical SMILES for 3-bromo-4-(4-chloro-3-methylpiperidin-1-yl)pyridine is CC1CN(c2ccncc2Br)CCC1Cl.
What is the InChIKey of 3-bromo-4-(4-chloro-3-methylpiperidin-1-yl)pyridine?
The InChIKey is MHXDPRTUMVPXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2/c1-8-7-15(5-3-10(8)13)11-2-4-14-6-9(11)12/h2,4,6,8,10H,3,5,7H2,1H3.
What are the key properties of 3-bromo-4-(4-chloro-3-methylpiperidin-1-yl)pyridine?
3-bromo-4-(4-chloro-3-methylpiperidin-1-yl)pyridine has a molecular weight of 289.60 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-chloro-3-methylpiperidin-1-yl)pyridine is sourced from PubChem (CID 114682648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).