3-chloro-6-methyl-2-pentylpyridine;ethane

C13H22ClN — CID 177208340

IUPAC3-chloro-6-methyl-2-pentylpyridine;ethane
SMILESCC.CCCCCc1nc(C)ccc1Cl
InChIInChI=1S/C11H16ClN.C2H6/c1-3-4-5-6-11-10(12)8-7-9(2)13-11;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyKVEDQBHWLNOHFO-UHFFFAOYSA-N
MW227.78 g/mol
LogP4.80
Rot. Bonds4

About 3-chloro-6-methyl-2-pentylpyridine;ethane

3-chloro-6-methyl-2-pentylpyridine;ethane (PubChem CID 177208340) has the molecular formula C13H22ClN and a molecular weight of 227.78 g/mol. Its IUPAC name is 3-chloro-6-methyl-2-pentylpyridine;ethane.

Molecular Properties

Compound Name3-chloro-6-methyl-2-pentylpyridine;ethane
PubChem CID177208340
Molecular FormulaC13H22ClN
Molecular Weight227.78 g/mol
Exact Mass227.14
IUPAC Name3-chloro-6-methyl-2-pentylpyridine;ethane
SMILESCC.CCCCCc1nc(C)ccc1Cl
InChIInChI=1S/C11H16ClN.C2H6/c1-3-4-5-6-11-10(12)8-7-9(2)13-11;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyKVEDQBHWLNOHFO-UHFFFAOYSA-N
XLogP4.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.78
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hexyl-3,6-dimethylpyridine
CID 23386704
2-(3-chloro-6-methyl-2-pyridinyl)ethanamine
CID 83874064
4-(3-chloro-6-methyl-2-pyridinyl)butanoic acid
CID 83886143
1-(3-chloro-6-methyl-2-pyridinyl)propan-2-one
CID 83876335
6-methyl-3-pentylpyridin-2-amine
CID 167157111
4,5,6-tripentyl-2-propylpyrimidine
CID 90692592
2-methyl-6-nonylpyridine
CID 165359246
2-methyl-6-tridecylpyridine
CID 572285
2-chloro-6-pentylpyridine
CID 14570984
2-(6-methyl-3-pentoxy-2-pyridinyl)ethanamine
CID 79168982
4-chloro-3-ethyl-2-hexadecylpyridine
CID 141449110
2-methyl-4,5,6-tripentylpyrimidine
CID 66935521

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-2-pentylpyridine;ethane?
The IUPAC name of 3-chloro-6-methyl-2-pentylpyridine;ethane (CID 177208340) is 3-chloro-6-methyl-2-pentylpyridine;ethane.
What is the SMILES notation for 3-chloro-6-methyl-2-pentylpyridine;ethane?
The canonical SMILES for 3-chloro-6-methyl-2-pentylpyridine;ethane is CC.CCCCCc1nc(C)ccc1Cl.
What is the InChIKey of 3-chloro-6-methyl-2-pentylpyridine;ethane?
The InChIKey is KVEDQBHWLNOHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN.C2H6/c1-3-4-5-6-11-10(12)8-7-9(2)13-11;1-2/h7-8H,3-6H2,1-2H3;1-2H3.
What are the key properties of 3-chloro-6-methyl-2-pentylpyridine;ethane?
3-chloro-6-methyl-2-pentylpyridine;ethane has a molecular weight of 227.78 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-2-pentylpyridine;ethane is sourced from PubChem (CID 177208340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).