2-pyridin-2-ylpyridine-3,4-dicarbonyl chloride

C12H6Cl2N2O2 — CID 87501484

IUPAC2-pyridin-2-ylpyridine-3,4-dicarbonyl chloride
SMILESO=C(Cl)c1ccnc(-c2ccccn2)c1C(=O)Cl
InChIInChI=1S/C12H6Cl2N2O2/c13-11(17)7-4-6-16-10(9(7)12(14)18)8-3-1-2-5-15-8/h1-6H
InChIKeyAAKVBNWOXSBLAR-UHFFFAOYSA-N
MW281.10 g/mol
LogP2.90
Rot. Bonds3

About 2-pyridin-2-ylpyridine-3,4-dicarbonyl chloride

2-pyridin-2-ylpyridine-3,4-dicarbonyl chloride (PubChem CID 87501484) has the molecular formula C12H6Cl2N2O2 and a molecular weight of 281.10 g/mol. Its IUPAC name is 2-pyridin-2-ylpyridine-3,4-dicarbonyl chloride.

Molecular Properties

Compound Name2-pyridin-2-ylpyridine-3,4-dicarbonyl chloride
PubChem CID87501484
Molecular FormulaC12H6Cl2N2O2
Molecular Weight281.10 g/mol
Exact Mass279.98
IUPAC Name2-pyridin-2-ylpyridine-3,4-dicarbonyl chloride
SMILESO=C(Cl)c1ccnc(-c2ccccn2)c1C(=O)Cl
InChIInChI=1S/C12H6Cl2N2O2/c13-11(17)7-4-6-16-10(9(7)12(14)18)8-3-1-2-5-15-8/h1-6H
InChIKeyAAKVBNWOXSBLAR-UHFFFAOYSA-N
XLogP2.90
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2,3-dipyridin-2-ylpyridine-4-carboxamide
CID 141257158
diethyl 2-pyridin-2-ylpyridine-3,4-dicarboxylate;ruthenium
CID 174651960
2-(3-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride
CID 86185812
(4-methoxy-2-pyridin-2-yl-3-pyridinyl)-phenylmethanone
CID 70109983
2-(2-pyridin-2-yl-3-pyridinyl)benzoic acid
CID 141463782
1-(3-pyridin-2-ylpyrazin-2-yl)ethanone
CID 121428199
2,3-dipyridin-2-ylpyridine;platinum
CID 87064106
2-(3-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxamide
CID 91031305
4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 82471218
bis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc
CID 166063488
4-chloro-2-phenylpyridine-3-carbonyl chloride
CID 118845105
2,3-dipyridin-2-ylpyridine;hydroxymethanone;ruthenium(3+)
CID 87404819

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylpyridine-3,4-dicarbonyl chloride?
The IUPAC name of 2-pyridin-2-ylpyridine-3,4-dicarbonyl chloride (CID 87501484) is 2-pyridin-2-ylpyridine-3,4-dicarbonyl chloride.
What is the SMILES notation for 2-pyridin-2-ylpyridine-3,4-dicarbonyl chloride?
The canonical SMILES for 2-pyridin-2-ylpyridine-3,4-dicarbonyl chloride is O=C(Cl)c1ccnc(-c2ccccn2)c1C(=O)Cl.
What is the InChIKey of 2-pyridin-2-ylpyridine-3,4-dicarbonyl chloride?
The InChIKey is AAKVBNWOXSBLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O2/c13-11(17)7-4-6-16-10(9(7)12(14)18)8-3-1-2-5-15-8/h1-6H.
What are the key properties of 2-pyridin-2-ylpyridine-3,4-dicarbonyl chloride?
2-pyridin-2-ylpyridine-3,4-dicarbonyl chloride has a molecular weight of 281.10 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylpyridine-3,4-dicarbonyl chloride is sourced from PubChem (CID 87501484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).