2-chloro-5-methylpyridine;ethane;3-methylbenzamide

C16H21ClN2O — CID 142196503

IUPAC2-chloro-5-methylpyridine;ethane;3-methylbenzamide
SMILESCC.Cc1ccc(Cl)nc1.Cc1cccc(C(N)=O)c1
InChIInChI=1S/C8H9NO.C6H6ClN.C2H6/c1-6-3-2-4-7(5-6)8(9)10;1-5-2-3-6(7)8-4-5;1-2/h2-5H,1H3,(H2,9,10);2-4H,1H3;1-2H3
InChIKeyWMVFZUXAXQLVFE-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.16
Rot. Bonds1

About 2-chloro-5-methylpyridine;ethane;3-methylbenzamide

2-chloro-5-methylpyridine;ethane;3-methylbenzamide (PubChem CID 142196503) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-chloro-5-methylpyridine;ethane;3-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-methylpyridine;ethane;3-methylbenzamide
PubChem CID142196503
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name2-chloro-5-methylpyridine;ethane;3-methylbenzamide
SMILESCC.Cc1ccc(Cl)nc1.Cc1cccc(C(N)=O)c1
InChIInChI=1S/C8H9NO.C6H6ClN.C2H6/c1-6-3-2-4-7(5-6)8(9)10;1-5-2-3-6(7)8-4-5;1-2/h2-5H,1H3,(H2,9,10);2-4H,1H3;1-2H3
InChIKeyWMVFZUXAXQLVFE-UHFFFAOYSA-N
XLogP4.16
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

argon;ethane;3-methylbenzamide;molecular hydrogen
CID 144862945
3-methylbenzamide;2-methylpropane
CID 160767336
6-chloropyridine-3-carboxamide;dihydrochloride
CID 87764201
(5-methyl-2-pyridinyl) 3-methylbenzoate
CID 836259
N-(5-chloropyrazin-2-yl)-3-methylbenzamide
CID 104964166
3-(2,5-dimethyl-3-pyridinyl)benzamide
CID 90320998
2-chloro-5-methylpyridine;3-methylpyridine
CID 143093216
N-[amino-(3-methylphenyl)methylidene]-2-chloropyridine-4-carboxamide
CID 2800228
3-methylbenzenecarboselenoic Se-acid
CID 166513879
bis(3-methylphenyl)methanone
CID 17848
ethane;3-methylbenzamide;N-(2-methylphenyl)methanesulfonamide
CID 144655985
6-bromo-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;3-methylbenzamide
CID 66921895

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylpyridine;ethane;3-methylbenzamide?
The IUPAC name of 2-chloro-5-methylpyridine;ethane;3-methylbenzamide (CID 142196503) is 2-chloro-5-methylpyridine;ethane;3-methylbenzamide.
What is the SMILES notation for 2-chloro-5-methylpyridine;ethane;3-methylbenzamide?
The canonical SMILES for 2-chloro-5-methylpyridine;ethane;3-methylbenzamide is CC.Cc1ccc(Cl)nc1.Cc1cccc(C(N)=O)c1.
What is the InChIKey of 2-chloro-5-methylpyridine;ethane;3-methylbenzamide?
The InChIKey is WMVFZUXAXQLVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.C6H6ClN.C2H6/c1-6-3-2-4-7(5-6)8(9)10;1-5-2-3-6(7)8-4-5;1-2/h2-5H,1H3,(H2,9,10);2-4H,1H3;1-2H3.
What are the key properties of 2-chloro-5-methylpyridine;ethane;3-methylbenzamide?
2-chloro-5-methylpyridine;ethane;3-methylbenzamide has a molecular weight of 292.81 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylpyridine;ethane;3-methylbenzamide is sourced from PubChem (CID 142196503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).