3-(1-chloro-2,2,3,3-tetramethylcyclopropyl)pyridine

C12H16ClN — CID 13486942

IUPAC3-(1-chloro-2,2,3,3-tetramethylcyclopropyl)pyridine
SMILESCC1(C)C(C)(C)C1(Cl)c1cccnc1
InChIInChI=1S/C12H16ClN/c1-10(2)11(3,4)12(10,13)9-6-5-7-14-8-9/h5-8H,1-4H3
InChIKeyXLDOGSNBYWKNBU-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.58
Rot. Bonds1

About 3-(1-chloro-2,2,3,3-tetramethylcyclopropyl)pyridine

3-(1-chloro-2,2,3,3-tetramethylcyclopropyl)pyridine (PubChem CID 13486942) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 3-(1-chloro-2,2,3,3-tetramethylcyclopropyl)pyridine.

Molecular Properties

Compound Name3-(1-chloro-2,2,3,3-tetramethylcyclopropyl)pyridine
PubChem CID13486942
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name3-(1-chloro-2,2,3,3-tetramethylcyclopropyl)pyridine
SMILESCC1(C)C(C)(C)C1(Cl)c1cccnc1
InChIInChI=1S/C12H16ClN/c1-10(2)11(3,4)12(10,13)9-6-5-7-14-8-9/h5-8H,1-4H3
InChIKeyXLDOGSNBYWKNBU-UHFFFAOYSA-N
XLogP3.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 142353863
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2-methyl-4-oxo-2-pyridin-3-ylazetidine-1-sulfonyl chloride
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(2-methyl-2-pyridin-3-ylcyclopropyl)methanol
CID 81358842
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CID 175960409
3-(2-methylpiperidin-2-yl)pyridine
CID 23344429
3-(3-bromo-1-methylcyclopentyl)pyridine
CID 116540502
3-(1-fluorocyclobutyl)pyridine
CID 158766896
1,2-dimethyl-2-pyridin-3-ylpyrrolidin-3-amine
CID 112709606
1-(2,2-dimethyl-5-pyridin-3-yl-1,3-dioxan-5-yl)ethanone
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CID 112563486

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloro-2,2,3,3-tetramethylcyclopropyl)pyridine?
The IUPAC name of 3-(1-chloro-2,2,3,3-tetramethylcyclopropyl)pyridine (CID 13486942) is 3-(1-chloro-2,2,3,3-tetramethylcyclopropyl)pyridine.
What is the SMILES notation for 3-(1-chloro-2,2,3,3-tetramethylcyclopropyl)pyridine?
The canonical SMILES for 3-(1-chloro-2,2,3,3-tetramethylcyclopropyl)pyridine is CC1(C)C(C)(C)C1(Cl)c1cccnc1.
What is the InChIKey of 3-(1-chloro-2,2,3,3-tetramethylcyclopropyl)pyridine?
The InChIKey is XLDOGSNBYWKNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-10(2)11(3,4)12(10,13)9-6-5-7-14-8-9/h5-8H,1-4H3.
What are the key properties of 3-(1-chloro-2,2,3,3-tetramethylcyclopropyl)pyridine?
3-(1-chloro-2,2,3,3-tetramethylcyclopropyl)pyridine has a molecular weight of 209.72 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloro-2,2,3,3-tetramethylcyclopropyl)pyridine is sourced from PubChem (CID 13486942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).