3,6-dichloropyridine-2-carboxylic acid;pyridine

C11H8Cl2N2O2 — CID 137368232

IUPAC3,6-dichloropyridine-2-carboxylic acid;pyridine
SMILESO=C(O)c1nc(Cl)ccc1Cl.c1ccncc1
InChIInChI=1S/C6H3Cl2NO2.C5H5N/c7-3-1-2-4(8)9-5(3)6(10)11;1-2-4-6-5-3-1/h1-2H,(H,10,11);1-5H
InChIKeyBXCZYYNSPUHPRP-UHFFFAOYSA-N
MW271.10 g/mol
LogP3.17
Rot. Bonds1

About 3,6-dichloropyridine-2-carboxylic acid;pyridine

3,6-dichloropyridine-2-carboxylic acid;pyridine (PubChem CID 137368232) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is 3,6-dichloropyridine-2-carboxylic acid;pyridine.

Molecular Properties

Compound Name3,6-dichloropyridine-2-carboxylic acid;pyridine
PubChem CID137368232
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Name3,6-dichloropyridine-2-carboxylic acid;pyridine
SMILESO=C(O)c1nc(Cl)ccc1Cl.c1ccncc1
InChIInChI=1S/C6H3Cl2NO2.C5H5N/c7-3-1-2-4(8)9-5(3)6(10)11;1-2-4-6-5-3-1/h1-2H,(H,10,11);1-5H
InChIKeyBXCZYYNSPUHPRP-UHFFFAOYSA-N
XLogP3.17
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloropyridine-2-carboxylic acid;propan-2-amine
CID 174671655
3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499398
3,6-dichloropyridine-2-carbohydrazide
CID 45278328
6-chloro-3-(triazol-2-yl)pyridine-2-carboxylic acid
CID 171772651
4-[(3,6-dichloropyridine-2-carbonyl)amino]benzoic acid
CID 45426688
6-chloro-3-propan-2-ylpyridine-2-carboxylic acid
CID 84721154
(3,6-dichloro-2-pyridinyl)-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 34608733
3,6-dichloro-N-(1,1-diphenylethyl)pyridine-2-carboxamide
CID 56522893
4-[[(3,6-dichloropyridine-2-carbonyl)amino]methyl]benzoic acid
CID 103602653
6-chloro-3-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
CID 134637342
6-chloro-3-pyrrolidin-1-ylpyridine-2-carboxylic acid
CID 118695072
6-chloro-3-propylpyridine-2-carboxylic acid
CID 84721152

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloropyridine-2-carboxylic acid;pyridine?
The IUPAC name of 3,6-dichloropyridine-2-carboxylic acid;pyridine (CID 137368232) is 3,6-dichloropyridine-2-carboxylic acid;pyridine.
What is the SMILES notation for 3,6-dichloropyridine-2-carboxylic acid;pyridine?
The canonical SMILES for 3,6-dichloropyridine-2-carboxylic acid;pyridine is O=C(O)c1nc(Cl)ccc1Cl.c1ccncc1.
What is the InChIKey of 3,6-dichloropyridine-2-carboxylic acid;pyridine?
The InChIKey is BXCZYYNSPUHPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO2.C5H5N/c7-3-1-2-4(8)9-5(3)6(10)11;1-2-4-6-5-3-1/h1-2H,(H,10,11);1-5H.
What are the key properties of 3,6-dichloropyridine-2-carboxylic acid;pyridine?
3,6-dichloropyridine-2-carboxylic acid;pyridine has a molecular weight of 271.10 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloropyridine-2-carboxylic acid;pyridine is sourced from PubChem (CID 137368232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).