6-chloro-5-methylpyridine-2-carboxylate

C7H5ClNO2- — CID 86307348

IUPAC6-chloro-5-methylpyridine-2-carboxylate
SMILESCc1ccc(C(=O)[O-])nc1Cl
InChIInChI=1S/C7H6ClNO2/c1-4-2-3-5(7(10)11)9-6(4)8/h2-3H,1H3,(H,10,11)/p-1
InChIKeyZURJURQGGWNOFN-UHFFFAOYSA-M
MW170.57 g/mol
LogP0.41
Rot. Bonds1

About 6-chloro-5-methylpyridine-2-carboxylate

6-chloro-5-methylpyridine-2-carboxylate (PubChem CID 86307348) has the molecular formula C7H5ClNO2- and a molecular weight of 170.57 g/mol. Its IUPAC name is 6-chloro-5-methylpyridine-2-carboxylate.

Molecular Properties

Compound Name6-chloro-5-methylpyridine-2-carboxylate
PubChem CID86307348
Molecular FormulaC7H5ClNO2-
Molecular Weight170.57 g/mol
Exact Mass170.00
IUPAC Name6-chloro-5-methylpyridine-2-carboxylate
SMILESCc1ccc(C(=O)[O-])nc1Cl
InChIInChI=1S/C7H6ClNO2/c1-4-2-3-5(7(10)11)9-6(4)8/h2-3H,1H3,(H,10,11)/p-1
InChIKeyZURJURQGGWNOFN-UHFFFAOYSA-M
XLogP0.41
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.57
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloropyridine-2-carboxylate
CID 86306959
6-chloro-N,5-dimethylpyridine-2-carboxamide;ethane
CID 170981052
6-chloro-5-nitropyridine-2-carboxylate
CID 6974574
potassium 6-chloro-3-methylpyridine-2-carboxylate
CID 86707308
2,6-dichloro-3-methylpyridine
CID 817088
2-chloro-6-(6-chloro-5-methyl-2-pyridinyl)-3-methylpyridine
CID 25228536
2,4-bis(6-chloro-5-methyl-2-pyridinyl)pentan-3-one
CID 150348366
bis(iron(3+));tris(pyridine-2,6-dicarboxylate)
CID 19108177
2,6-dichloro-3-methylpyridine;hydrochloride
CID 45382145
calcium pyridine-2,6-dicarboxylate
CID 11708274
2,6-dichloro-4-methylpyridine-3-carboxylate
CID 4062420
sodium 5-methylpyridine-2-carboxylate
CID 23707755

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methylpyridine-2-carboxylate?
The IUPAC name of 6-chloro-5-methylpyridine-2-carboxylate (CID 86307348) is 6-chloro-5-methylpyridine-2-carboxylate.
What is the SMILES notation for 6-chloro-5-methylpyridine-2-carboxylate?
The canonical SMILES for 6-chloro-5-methylpyridine-2-carboxylate is Cc1ccc(C(=O)[O-])nc1Cl.
What is the InChIKey of 6-chloro-5-methylpyridine-2-carboxylate?
The InChIKey is ZURJURQGGWNOFN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6ClNO2/c1-4-2-3-5(7(10)11)9-6(4)8/h2-3H,1H3,(H,10,11)/p-1.
What are the key properties of 6-chloro-5-methylpyridine-2-carboxylate?
6-chloro-5-methylpyridine-2-carboxylate has a molecular weight of 170.57 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methylpyridine-2-carboxylate is sourced from PubChem (CID 86307348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).