2,6-dichloro-4-methylpyridine-3-carboxylate

C7H4Cl2NO2- — CID 4062420

IUPAC2,6-dichloro-4-methylpyridine-3-carboxylate
SMILESCc1cc(Cl)nc(Cl)c1C(=O)[O-]
InChIInChI=1S/C7H5Cl2NO2/c1-3-2-4(8)10-6(9)5(3)7(11)12/h2H,1H3,(H,11,12)/p-1
InChIKeyQOSNTWMXACGOMD-UHFFFAOYSA-M
MW205.02 g/mol
LogP1.06
Rot. Bonds1

About 2,6-dichloro-4-methylpyridine-3-carboxylate

2,6-dichloro-4-methylpyridine-3-carboxylate (PubChem CID 4062420) has the molecular formula C7H4Cl2NO2- and a molecular weight of 205.02 g/mol. Its IUPAC name is 2,6-dichloro-4-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name2,6-dichloro-4-methylpyridine-3-carboxylate
PubChem CID4062420
Molecular FormulaC7H4Cl2NO2-
Molecular Weight205.02 g/mol
Exact Mass203.96
IUPAC Name2,6-dichloro-4-methylpyridine-3-carboxylate
SMILESCc1cc(Cl)nc(Cl)c1C(=O)[O-]
InChIInChI=1S/C7H5Cl2NO2/c1-3-2-4(8)10-6(9)5(3)7(11)12/h2H,1H3,(H,11,12)/p-1
InChIKeyQOSNTWMXACGOMD-UHFFFAOYSA-M
XLogP1.06
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.02
LogP ≤ 51.06
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

2-bromo-6-chloro-4-methylpyridine-3-carboxylic acid
CID 168844397
gallium tris(2,4,6-trimethylbenzoate)
CID 22604109
2,6-dichloro-N,N-dihydroxy-4-methylpyridin-3-amine
CID 123350601
1-(2,4,6-trichloro-3-pyridinyl)propan-1-one
CID 167053835
6-chloro-5-methylpyridine-2-carboxylate
CID 86307348
2,6-dichloro-N-[(2,4-dichlorophenyl)carbamoyl]-4-methylpyridine-3-carboxamide
CID 2781768
potassium 6-chloro-3-methylpyridine-2-carboxylate
CID 86707308
cadmium(2+);bis(2,3,5,6-tetramethylbenzoate)
CID 22604739
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-methyl-2-(methylamino)propanamide
CID 114051353
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
ethyl 2,6-dichloro-3-hydroxypyridine-4-carboxylate
CID 122705836
methyl 2-(2-bromoethyl)-6-chloro-4-methylpyridine-3-carboxylate
CID 174685000

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-methylpyridine-3-carboxylate?
The IUPAC name of 2,6-dichloro-4-methylpyridine-3-carboxylate (CID 4062420) is 2,6-dichloro-4-methylpyridine-3-carboxylate.
What is the SMILES notation for 2,6-dichloro-4-methylpyridine-3-carboxylate?
The canonical SMILES for 2,6-dichloro-4-methylpyridine-3-carboxylate is Cc1cc(Cl)nc(Cl)c1C(=O)[O-].
What is the InChIKey of 2,6-dichloro-4-methylpyridine-3-carboxylate?
The InChIKey is QOSNTWMXACGOMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5Cl2NO2/c1-3-2-4(8)10-6(9)5(3)7(11)12/h2H,1H3,(H,11,12)/p-1.
What are the key properties of 2,6-dichloro-4-methylpyridine-3-carboxylate?
2,6-dichloro-4-methylpyridine-3-carboxylate has a molecular weight of 205.02 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-methylpyridine-3-carboxylate is sourced from PubChem (CID 4062420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).