3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;ethane

C13H22ClNO — CID 145226127

IUPAC3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;ethane
SMILESCC.CC(C)Oc1ncc(C(C)C)cc1Cl
InChIInChI=1S/C11H16ClNO.C2H6/c1-7(2)9-5-10(12)11(13-6-9)14-8(3)4;1-2/h5-8H,1-4H3;1-2H3
InChIKeyQVPNTLJFZAPIKI-UHFFFAOYSA-N
MW243.78 g/mol
LogP4.67
Rot. Bonds3

About 3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;ethane

3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;ethane (PubChem CID 145226127) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is 3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;ethane.

Molecular Properties

Compound Name3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;ethane
PubChem CID145226127
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC Name3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;ethane
SMILESCC.CC(C)Oc1ncc(C(C)C)cc1Cl
InChIInChI=1S/C11H16ClNO.C2H6/c1-7(2)9-5-10(12)11(13-6-9)14-8(3)4;1-2/h5-8H,1-4H3;1-2H3
InChIKeyQVPNTLJFZAPIKI-UHFFFAOYSA-N
XLogP4.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-[(1S)-1-phenylethyl]-2-propan-2-yloxypyridine
CID 118359626
3-chloro-5-ethyl-2-propan-2-yloxypyridine
CID 90064685
3-chloro-2-ethyl-5-propan-2-ylpyridine;ethane
CID 142611311
5-chloro-4-fluoro-3-propan-2-yl-2-propan-2-yloxypyridine
CID 71020615
2-amino-1-(5-chloro-6-propan-2-yloxy-3-pyridinyl)ethanone;hydrochloride
CID 141116458
(1R)-1-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine
CID 130632520
(5-chloro-2-propan-2-yloxy-3-pyridinyl)boronic acid
CID 53216339
2-chloro-5-propan-2-yl-4-propan-2-yloxypyridine
CID 167456388
5-chloro-4-propan-2-yloxypyrimidin-2-amine
CID 80859950
2-ethoxy-3-methyl-5-propan-2-ylpyridine
CID 130320628
3-chloro-5-[(4-fluoro-4-propan-2-ylpiperidin-1-yl)methyl]-2-propan-2-yloxypyridine
CID 130184580
6-chloro-7-methoxy-3-propan-2-ylquinoline
CID 154591513

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;ethane?
The IUPAC name of 3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;ethane (CID 145226127) is 3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;ethane.
What is the SMILES notation for 3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;ethane?
The canonical SMILES for 3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;ethane is CC.CC(C)Oc1ncc(C(C)C)cc1Cl.
What is the InChIKey of 3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;ethane?
The InChIKey is QVPNTLJFZAPIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO.C2H6/c1-7(2)9-5-10(12)11(13-6-9)14-8(3)4;1-2/h5-8H,1-4H3;1-2H3.
What are the key properties of 3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;ethane?
3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;ethane has a molecular weight of 243.78 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-propan-2-yl-2-propan-2-yloxypyridine;ethane is sourced from PubChem (CID 145226127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).