2-[1-chloro-1-(2,2-dimethylcyclopropyl)propan-2-yl]pyridine

C13H18ClN — CID 107003679

IUPAC2-[1-chloro-1-(2,2-dimethylcyclopropyl)propan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Cl)C1CC1(C)C
InChIInChI=1S/C13H18ClN/c1-9(11-6-4-5-7-15-11)12(14)10-8-13(10,2)3/h4-7,9-10,12H,8H2,1-3H3
InChIKeyWDVDRJACPDDWGZ-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.84
Rot. Bonds3

About 2-[1-chloro-1-(2,2-dimethylcyclopropyl)propan-2-yl]pyridine

2-[1-chloro-1-(2,2-dimethylcyclopropyl)propan-2-yl]pyridine (PubChem CID 107003679) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 2-[1-chloro-1-(2,2-dimethylcyclopropyl)propan-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-chloro-1-(2,2-dimethylcyclopropyl)propan-2-yl]pyridine
PubChem CID107003679
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name2-[1-chloro-1-(2,2-dimethylcyclopropyl)propan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Cl)C1CC1(C)C
InChIInChI=1S/C13H18ClN/c1-9(11-6-4-5-7-15-11)12(14)10-8-13(10,2)3/h4-7,9-10,12H,8H2,1-3H3
InChIKeyWDVDRJACPDDWGZ-UHFFFAOYSA-N
XLogP3.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.84
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

2-[1-chloro-1-(oxolan-3-yl)propan-2-yl]pyridine
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2-[(2R)-3-methylbutan-2-yl]pyridine
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1-cyclopentyl-2-pyridin-2-ylpropan-1-amine
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(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
1-cyclooctyl-2-pyridin-2-ylpropan-1-amine
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2-[1-chloro-1-(2,3,4-trifluorophenyl)propan-2-yl]pyridine
CID 79757736
1-(oxan-4-yl)-2-pyridin-2-ylpropan-1-amine
CID 66448560
2-(3-chloro-4-methylsulfonylpentan-2-yl)pyridine
CID 104522952
2-(dichloromethyl)pyridine;hydrochloride
CID 18385076
(1S,2S)-1-pyridin-2-ylpropane-1,2-diol
CID 28766943
ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174

Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-1-(2,2-dimethylcyclopropyl)propan-2-yl]pyridine?
The IUPAC name of 2-[1-chloro-1-(2,2-dimethylcyclopropyl)propan-2-yl]pyridine (CID 107003679) is 2-[1-chloro-1-(2,2-dimethylcyclopropyl)propan-2-yl]pyridine.
What is the SMILES notation for 2-[1-chloro-1-(2,2-dimethylcyclopropyl)propan-2-yl]pyridine?
The canonical SMILES for 2-[1-chloro-1-(2,2-dimethylcyclopropyl)propan-2-yl]pyridine is CC(c1ccccn1)C(Cl)C1CC1(C)C.
What is the InChIKey of 2-[1-chloro-1-(2,2-dimethylcyclopropyl)propan-2-yl]pyridine?
The InChIKey is WDVDRJACPDDWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-9(11-6-4-5-7-15-11)12(14)10-8-13(10,2)3/h4-7,9-10,12H,8H2,1-3H3.
What are the key properties of 2-[1-chloro-1-(2,2-dimethylcyclopropyl)propan-2-yl]pyridine?
2-[1-chloro-1-(2,2-dimethylcyclopropyl)propan-2-yl]pyridine has a molecular weight of 223.75 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-1-(2,2-dimethylcyclopropyl)propan-2-yl]pyridine is sourced from PubChem (CID 107003679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).