4-chloro-3-(2,2-dimethylcyclopropyl)pyridine

C10H12ClN — CID 164582075

IUPAC4-chloro-3-(2,2-dimethylcyclopropyl)pyridine
SMILESCC1(C)CC1c1cnccc1Cl
InChIInChI=1S/C10H12ClN/c1-10(2)5-8(10)7-6-12-4-3-9(7)11/h3-4,6,8H,5H2,1-2H3
InChIKeyOUWRLWWIYWMEKR-UHFFFAOYSA-N
MW181.67 g/mol
LogP3.25
Rot. Bonds1

About 4-chloro-3-(2,2-dimethylcyclopropyl)pyridine

4-chloro-3-(2,2-dimethylcyclopropyl)pyridine (PubChem CID 164582075) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 4-chloro-3-(2,2-dimethylcyclopropyl)pyridine.

Molecular Properties

Compound Name4-chloro-3-(2,2-dimethylcyclopropyl)pyridine
PubChem CID164582075
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name4-chloro-3-(2,2-dimethylcyclopropyl)pyridine
SMILESCC1(C)CC1c1cnccc1Cl
InChIInChI=1S/C10H12ClN/c1-10(2)5-8(10)7-6-12-4-3-9(7)11/h3-4,6,8H,5H2,1-2H3
InChIKeyOUWRLWWIYWMEKR-UHFFFAOYSA-N
XLogP3.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-chloro-3-pyridinyl)ethanethiol
CID 163825883
[5-(4-chloro-3-pyridinyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-methylsulfamic acid
CID 122638297
(5R)-5-(4-chloro-3-pyridinyl)morpholin-3-one
CID 129415968
5-(4-chloro-3-pyridinyl)morpholin-3-one
CID 119085580
5,5-difluoro-7-methyl-6,7-dihydrocyclopenta[c]pyridine
CID 167521278
3-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-4-amine
CID 114624107
1-(4-chloro-3-pyridinyl)-7-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 83359935
N-[2-(3-chloro-4-pyridinyl)-1-(2,2-dimethylcyclopropyl)ethyl]propan-1-amine
CID 107002016
6,6-dimethyl-7,8-dihydro-5H-isoquinolin-5-amine
CID 112714469
7-methyl-5,6-dihydrocyclopenta[c]pyridine-5,7-diol
CID 85099612
(3R)-N-[(3-chloro-4-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 99632685
(4-chloro-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81232947

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,2-dimethylcyclopropyl)pyridine?
The IUPAC name of 4-chloro-3-(2,2-dimethylcyclopropyl)pyridine (CID 164582075) is 4-chloro-3-(2,2-dimethylcyclopropyl)pyridine.
What is the SMILES notation for 4-chloro-3-(2,2-dimethylcyclopropyl)pyridine?
The canonical SMILES for 4-chloro-3-(2,2-dimethylcyclopropyl)pyridine is CC1(C)CC1c1cnccc1Cl.
What is the InChIKey of 4-chloro-3-(2,2-dimethylcyclopropyl)pyridine?
The InChIKey is OUWRLWWIYWMEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c1-10(2)5-8(10)7-6-12-4-3-9(7)11/h3-4,6,8H,5H2,1-2H3.
What are the key properties of 4-chloro-3-(2,2-dimethylcyclopropyl)pyridine?
4-chloro-3-(2,2-dimethylcyclopropyl)pyridine has a molecular weight of 181.67 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,2-dimethylcyclopropyl)pyridine is sourced from PubChem (CID 164582075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).