2-chloro-5-methylpyridine;3-methylpyridine

C12H13ClN2 — CID 143093216

IUPAC2-chloro-5-methylpyridine;3-methylpyridine
SMILESCc1ccc(Cl)nc1.Cc1cccnc1
InChIInChI=1S/C6H6ClN.C6H7N/c1-5-2-3-6(7)8-4-5;1-6-3-2-4-7-5-6/h2-4H,1H3;2-5H,1H3
InChIKeyHSHAUVQKXFFMFV-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.43
Rot. Bonds

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

2-chloro-5-methylpyridine;3-methylpyridine (PubChem CID 143093216) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 2-chloro-5-methylpyridine;3-methylpyridine.

Molecular Properties

Compound Name2-chloro-5-methylpyridine;3-methylpyridine
PubChem CID143093216
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name2-chloro-5-methylpyridine;3-methylpyridine
SMILESCc1ccc(Cl)nc1.Cc1cccnc1
InChIInChI=1S/C6H6ClN.C6H7N/c1-5-2-3-6(7)8-4-5;1-6-3-2-4-7-5-6/h2-4H,1H3;2-5H,1H3
InChIKeyHSHAUVQKXFFMFV-UHFFFAOYSA-N
XLogP3.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(3-methylpyridine);palladium(2+);dichloride
CID 71466702
bis(3-methylpyridine);platinum(2+);dichloride
CID 23341677
3-chloropyridine;3-methylpyridine
CID 174960532
bis(3-methylpyridine);tetrachloroplatinum
CID 3415062
dichlorocobalt(1+);tetrakis(3-methylpyridine);chloride
CID 119057635
ethane;3-methylpyridine;hydroiodide
CID 143140941
2-chloro-5-methylpyridine;1,1-dichloroethane
CID 163849047
ethane;methane;3-methylpyridine;toluene;1,4-xylene
CID 159514301
ethane;methoxymethane;bis(3-methylpyridine)
CID 159558388
N,N-dimethylmethanamine;ethane;3-methylpyridine
CID 142096313
3-methylpyridine;4-methylpyridine
CID 21425791
methoxyethane;3-methylpyridine
CID 144662760

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylpyridine;3-methylpyridine?
The IUPAC name of 2-chloro-5-methylpyridine;3-methylpyridine (CID 143093216) is 2-chloro-5-methylpyridine;3-methylpyridine.
What is the SMILES notation for 2-chloro-5-methylpyridine;3-methylpyridine?
The canonical SMILES for 2-chloro-5-methylpyridine;3-methylpyridine is Cc1ccc(Cl)nc1.Cc1cccnc1.
What is the InChIKey of 2-chloro-5-methylpyridine;3-methylpyridine?
The InChIKey is HSHAUVQKXFFMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN.C6H7N/c1-5-2-3-6(7)8-4-5;1-6-3-2-4-7-5-6/h2-4H,1H3;2-5H,1H3.
What are the key properties of 2-chloro-5-methylpyridine;3-methylpyridine?
2-chloro-5-methylpyridine;3-methylpyridine has a molecular weight of 220.70 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylpyridine;3-methylpyridine is sourced from PubChem (CID 143093216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).