3-(3,5-dichloro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane

C12H15Cl2N3 — CID 115314667

IUPAC3-(3,5-dichloro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESClc1cnc(N2CCC3CCC(C2)N3)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3/c13-8-5-11(14)12(15-6-8)17-4-3-9-1-2-10(7-17)16-9/h5-6,9-10,16H,1-4,7H2
InChIKeyMWZPLWLVWQVFQK-UHFFFAOYSA-N
MW272.18 g/mol
LogP2.72
Rot. Bonds1

About 3-(3,5-dichloro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane

3-(3,5-dichloro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 115314667) has the molecular formula C12H15Cl2N3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 3-(3,5-dichloro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(3,5-dichloro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID115314667
Molecular FormulaC12H15Cl2N3
Molecular Weight272.18 g/mol
Exact Mass271.06
IUPAC Name3-(3,5-dichloro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESClc1cnc(N2CCC3CCC(C2)N3)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3/c13-8-5-11(14)12(15-6-8)17-4-3-9-1-2-10(7-17)16-9/h5-6,9-10,16H,1-4,7H2
InChIKeyMWZPLWLVWQVFQK-UHFFFAOYSA-N
XLogP2.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,5-dichloro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane with MolForge

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Related Compounds

5-chloro-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxylic acid;hydrochloride
CID 153354859
2-(4-bromo-3-methylpiperidin-1-yl)-3,5-dichloropyridine
CID 114682770
(3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol
CID 107225530
(1S,6R)-3-(6-chloro-3-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane
CID 87827418
1-(3,5-dichloro-2-pyridinyl)azepan-4-ol
CID 128509432
2-amino-4-[1-(3,5-dichloro-2-pyridinyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 137247997
[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166600860
3-(2,4,6-trichlorophenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 115314141
4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-6-methylthieno[2,3-d]pyrimidine
CID 115314651
3-pyridin-4-yl-3,9-diazabicyclo[4.2.1]nonane
CID 115314620
2-(bromomethyl)-4-(3,5-dichloro-2-pyridinyl)morpholine
CID 81210900
3-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]oxypropan-1-amine
CID 79734904

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-(3,5-dichloro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane (CID 115314667) is 3-(3,5-dichloro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(3,5-dichloro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(3,5-dichloro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane is Clc1cnc(N2CCC3CCC(C2)N3)c(Cl)c1.
What is the InChIKey of 3-(3,5-dichloro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is MWZPLWLVWQVFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3/c13-8-5-11(14)12(15-6-8)17-4-3-9-1-2-10(7-17)16-9/h5-6,9-10,16H,1-4,7H2.
What are the key properties of 3-(3,5-dichloro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane?
3-(3,5-dichloro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 272.18 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 115314667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).