6-[2-(3,5-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride

C17H9Cl3N2O2 — CID 57139231

IUPAC6-[2-(3,5-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1ccc(C2(C(=O)c3cc(Cl)cc(Cl)c3)C=CC=N2)nc1
InChIInChI=1S/C17H9Cl3N2O2/c18-12-6-11(7-13(19)8-12)15(23)17(4-1-5-22-17)14-3-2-10(9-21-14)16(20)24/h1-9H
InChIKeyUPCYECVXIGJORK-UHFFFAOYSA-N
MW379.63 g/mol
LogP4.49
Rot. Bonds4

About 6-[2-(3,5-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride

6-[2-(3,5-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride (PubChem CID 57139231) has the molecular formula C17H9Cl3N2O2 and a molecular weight of 379.63 g/mol. Its IUPAC name is 6-[2-(3,5-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-[2-(3,5-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
PubChem CID57139231
Molecular FormulaC17H9Cl3N2O2
Molecular Weight379.63 g/mol
Exact Mass377.97
IUPAC Name6-[2-(3,5-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1ccc(C2(C(=O)c3cc(Cl)cc(Cl)c3)C=CC=N2)nc1
InChIInChI=1S/C17H9Cl3N2O2/c18-12-6-11(7-13(19)8-12)15(23)17(4-1-5-22-17)14-3-2-10(9-21-14)16(20)24/h1-9H
InChIKeyUPCYECVXIGJORK-UHFFFAOYSA-N
XLogP4.49
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.63
LogP ≤ 54.49
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

6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
CID 57156068
6-[2-(4-fluoro-2-methylbenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
CID 57067918
6-[2-(cyclopentanecarbonyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
CID 57075872
6-[2-(2,4-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid
CID 57314302
6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid
CID 57278729
6-[2-[2-(2-methylfuran-3-yl)acetyl]pyrrol-2-yl]pyridine-3-carbonyl chloride
CID 57131484
6-[2-(2-methylthiophene-3-carbonyl)pyrrol-2-yl]pyridine-3-carboxylic acid
CID 57221833
methyl 2-[2-(5-chloro-2-pyridinyl)pyrrol-2-yl]-2-oxoacetate
CID 91383954
methyl 2-[2-(5-fluoro-2-pyridinyl)pyrrol-2-yl]-2-oxoacetate
CID 91386530
6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride
CID 158925044
(6-chloro-3-pyridinyl)-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]methanone
CID 134062230
6-chlorosulfinyloxypyridine-3-carbonyl chloride
CID 22961185

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,5-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride?
The IUPAC name of 6-[2-(3,5-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride (CID 57139231) is 6-[2-(3,5-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride.
What is the SMILES notation for 6-[2-(3,5-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride?
The canonical SMILES for 6-[2-(3,5-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride is O=C(Cl)c1ccc(C2(C(=O)c3cc(Cl)cc(Cl)c3)C=CC=N2)nc1.
What is the InChIKey of 6-[2-(3,5-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride?
The InChIKey is UPCYECVXIGJORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl3N2O2/c18-12-6-11(7-13(19)8-12)15(23)17(4-1-5-22-17)14-3-2-10(9-21-14)16(20)24/h1-9H.
What are the key properties of 6-[2-(3,5-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride?
6-[2-(3,5-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride has a molecular weight of 379.63 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,5-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride is sourced from PubChem (CID 57139231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).