4-chloro-2,5-dimethylpyridine;ethane

C11H20ClN — CID 176713957

IUPAC4-chloro-2,5-dimethylpyridine;ethane
SMILESCC.CC.Cc1cc(Cl)c(C)cn1
InChIInChI=1S/C7H8ClN.2C2H6/c1-5-4-9-6(2)3-7(5)8;2*1-2/h3-4H,1-2H3;2*1-2H3
InChIKeyZDAHUVBZQCVQSW-UHFFFAOYSA-N
MW201.74 g/mol
LogP4.40
Rot. Bonds

About 4-chloro-2,5-dimethylpyridine;ethane

4-chloro-2,5-dimethylpyridine;ethane (PubChem CID 176713957) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is 4-chloro-2,5-dimethylpyridine;ethane.

Molecular Properties

Compound Name4-chloro-2,5-dimethylpyridine;ethane
PubChem CID176713957
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC Name4-chloro-2,5-dimethylpyridine;ethane
SMILESCC.CC.Cc1cc(Cl)c(C)cn1
InChIInChI=1S/C7H8ClN.2C2H6/c1-5-4-9-6(2)3-7(5)8;2*1-2/h3-4H,1-2H3;2*1-2H3
InChIKeyZDAHUVBZQCVQSW-UHFFFAOYSA-N
XLogP4.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.74
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-5-methylpyridine-2-carbonitrile
CID 75422082
(1R)-1-(4-chloro-6-methyl-3-pyridinyl)ethanamine
CID 130645436
4-chloro-2-ethenyl-5-methylpyridine
CID 74888934
5-chloro-4-iodo-2-methylpyridine
CID 58548727
2-(4-chloro-6-methyl-3-pyridinyl)pyrimidine
CID 174557409
(5-chloro-2-methyl-4-pyridinyl)-trimethylstannane
CID 58354569
2-chloro-4,5-dimethylpyridine;ethane
CID 144586230
4-chloro-2-methyl-5-(trifluoromethoxy)pyridine
CID 70832767
2,5-dimethylpyrazine;ethane
CID 143125119
3-chloro-7-methyl-2,6-naphthyridine
CID 163219656
(1R)-1-(4-chloro-6-methyl-3-pyridinyl)prop-2-en-1-amine
CID 131140438
5,7-dichloro-3-methylisoquinoline
CID 169499833

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethylpyridine;ethane?
The IUPAC name of 4-chloro-2,5-dimethylpyridine;ethane (CID 176713957) is 4-chloro-2,5-dimethylpyridine;ethane.
What is the SMILES notation for 4-chloro-2,5-dimethylpyridine;ethane?
The canonical SMILES for 4-chloro-2,5-dimethylpyridine;ethane is CC.CC.Cc1cc(Cl)c(C)cn1.
What is the InChIKey of 4-chloro-2,5-dimethylpyridine;ethane?
The InChIKey is ZDAHUVBZQCVQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN.2C2H6/c1-5-4-9-6(2)3-7(5)8;2*1-2/h3-4H,1-2H3;2*1-2H3.
What are the key properties of 4-chloro-2,5-dimethylpyridine;ethane?
4-chloro-2,5-dimethylpyridine;ethane has a molecular weight of 201.74 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethylpyridine;ethane is sourced from PubChem (CID 176713957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).