2,6-dichloropyridine-4-carboxylic acid;iron

C6H3Cl2FeNO2 — CID 174504494

IUPAC2,6-dichloropyridine-4-carboxylic acid;iron
SMILESO=C(O)c1cc(Cl)nc(Cl)c1.[Fe]
InChIInChI=1S/C6H3Cl2NO2.Fe/c7-4-1-3(6(10)11)2-5(8)9-4;/h1-2H,(H,10,11);
InChIKeyAHEKSXYBUBQPNS-UHFFFAOYSA-N
MW247.85 g/mol
LogP2.08
Rot. Bonds1

About 2,6-dichloropyridine-4-carboxylic acid;iron

2,6-dichloropyridine-4-carboxylic acid;iron (PubChem CID 174504494) has the molecular formula C6H3Cl2FeNO2 and a molecular weight of 247.85 g/mol. Its IUPAC name is 2,6-dichloropyridine-4-carboxylic acid;iron.

Molecular Properties

Compound Name2,6-dichloropyridine-4-carboxylic acid;iron
PubChem CID174504494
Molecular FormulaC6H3Cl2FeNO2
Molecular Weight247.85 g/mol
Exact Mass246.89
IUPAC Name2,6-dichloropyridine-4-carboxylic acid;iron
SMILESO=C(O)c1cc(Cl)nc(Cl)c1.[Fe]
InChIInChI=1S/C6H3Cl2NO2.Fe/c7-4-1-3(6(10)11)2-5(8)9-4;/h1-2H,(H,10,11);
InChIKeyAHEKSXYBUBQPNS-UHFFFAOYSA-N
XLogP2.08
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.85
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-methoxypyridine-4-carboxylic acid;ethane
CID 143103207
2-chloro-6-(4-chlorophenyl)pyridine-4-carboxylic acid
CID 79020635
2-chloro-6-[methyl(methylsulfanyl)amino]pyridine-4-carboxylic acid
CID 143234511
2-chloro-6-(3,5-dichloroanilino)pyridine-4-carboxylic acid
CID 43343634
2-chloro-6-(3,4-dihydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 106669843
2-chloro-6-(2-cyanopropan-2-yl)pyridine-4-carboxylic acid
CID 156832623
2-chloro-6-propoxypyridine-4-carboxylic acid
CID 43247945
2-chloro-6-pentylpyridine-4-carboxylic acid
CID 165460314
2-[bis(cyanomethyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43166592
2-chloro-6-(1-cyanocyclopropyl)pyridine-4-carboxylic acid
CID 166162271
2-chloro-6-(trifluoromethyl)pyridine;2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 158174130
2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid
CID 21430349

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloropyridine-4-carboxylic acid;iron?
The IUPAC name of 2,6-dichloropyridine-4-carboxylic acid;iron (CID 174504494) is 2,6-dichloropyridine-4-carboxylic acid;iron.
What is the SMILES notation for 2,6-dichloropyridine-4-carboxylic acid;iron?
The canonical SMILES for 2,6-dichloropyridine-4-carboxylic acid;iron is O=C(O)c1cc(Cl)nc(Cl)c1.[Fe].
What is the InChIKey of 2,6-dichloropyridine-4-carboxylic acid;iron?
The InChIKey is AHEKSXYBUBQPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO2.Fe/c7-4-1-3(6(10)11)2-5(8)9-4;/h1-2H,(H,10,11);.
What are the key properties of 2,6-dichloropyridine-4-carboxylic acid;iron?
2,6-dichloropyridine-4-carboxylic acid;iron has a molecular weight of 247.85 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloropyridine-4-carboxylic acid;iron is sourced from PubChem (CID 174504494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).