6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride

C17H9Cl2FN2O2 — CID 57156068

IUPAC6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1ccc(C2(C(=O)c3cc(F)ccc3Cl)C=CC=N2)nc1
InChIInChI=1S/C17H9Cl2FN2O2/c18-13-4-3-11(20)8-12(13)15(23)17(6-1-7-22-17)14-5-2-10(9-21-14)16(19)24/h1-9H
InChIKeyHQBHIXVLACNHJR-UHFFFAOYSA-N
MW363.18 g/mol
LogP3.97
Rot. Bonds4

About 6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride

6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride (PubChem CID 57156068) has the molecular formula C17H9Cl2FN2O2 and a molecular weight of 363.18 g/mol. Its IUPAC name is 6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
PubChem CID57156068
Molecular FormulaC17H9Cl2FN2O2
Molecular Weight363.18 g/mol
Exact Mass362.00
IUPAC Name6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1ccc(C2(C(=O)c3cc(F)ccc3Cl)C=CC=N2)nc1
InChIInChI=1S/C17H9Cl2FN2O2/c18-13-4-3-11(20)8-12(13)15(23)17(6-1-7-22-17)14-5-2-10(9-21-14)16(19)24/h1-9H
InChIKeyHQBHIXVLACNHJR-UHFFFAOYSA-N
XLogP3.97
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.18
LogP ≤ 53.97
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-carboxylic acid
CID 57278729
6-[2-(4-fluoro-2-methylbenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
CID 57067918
6-[2-(3,5-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
CID 57139231
6-[2-(2,4-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid
CID 57314302
6-[2-(cyclopentanecarbonyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
CID 57075872
6-[2-[2-(2-methylfuran-3-yl)acetyl]pyrrol-2-yl]pyridine-3-carbonyl chloride
CID 57131484
(2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone
CID 105394341
methyl 2-[2-(5-fluoro-2-pyridinyl)pyrrol-2-yl]-2-oxoacetate
CID 91386530
methyl 2-[2-(5-chloro-2-pyridinyl)pyrrol-2-yl]-2-oxoacetate
CID 91383954
6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carbonyl chloride
CID 22099637
1-adamantyl-(2-chloro-5-fluorophenyl)methanone
CID 105394220
2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 118804223

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride?
The IUPAC name of 6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride (CID 57156068) is 6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride.
What is the SMILES notation for 6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride?
The canonical SMILES for 6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride is O=C(Cl)c1ccc(C2(C(=O)c3cc(F)ccc3Cl)C=CC=N2)nc1.
What is the InChIKey of 6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride?
The InChIKey is HQBHIXVLACNHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2FN2O2/c18-13-4-3-11(20)8-12(13)15(23)17(6-1-7-22-17)14-5-2-10(9-21-14)16(19)24/h1-9H.
What are the key properties of 6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride?
6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride has a molecular weight of 363.18 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride is sourced from PubChem (CID 57156068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).