6-[2-(4-fluoro-2-methylbenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride

C18H12ClFN2O2 — CID 57067918

IUPAC6-[2-(4-fluoro-2-methylbenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
SMILESCc1cc(F)ccc1C(=O)C1(c2ccc(C(=O)Cl)cn2)C=CC=N1
InChIInChI=1S/C18H12ClFN2O2/c1-11-9-13(20)4-5-14(11)16(23)18(7-2-8-22-18)15-6-3-12(10-21-15)17(19)24/h2-10H,1H3
InChIKeyCNUUPSSOMUZDHY-UHFFFAOYSA-N
MW342.76 g/mol
LogP3.63
Rot. Bonds4

About 6-[2-(4-fluoro-2-methylbenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride

6-[2-(4-fluoro-2-methylbenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride (PubChem CID 57067918) has the molecular formula C18H12ClFN2O2 and a molecular weight of 342.76 g/mol. Its IUPAC name is 6-[2-(4-fluoro-2-methylbenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-[2-(4-fluoro-2-methylbenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
PubChem CID57067918
Molecular FormulaC18H12ClFN2O2
Molecular Weight342.76 g/mol
Exact Mass342.06
IUPAC Name6-[2-(4-fluoro-2-methylbenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
SMILESCc1cc(F)ccc1C(=O)C1(c2ccc(C(=O)Cl)cn2)C=CC=N1
InChIInChI=1S/C18H12ClFN2O2/c1-11-9-13(20)4-5-14(11)16(23)18(7-2-8-22-18)15-6-3-12(10-21-15)17(19)24/h2-10H,1H3
InChIKeyCNUUPSSOMUZDHY-UHFFFAOYSA-N
XLogP3.63
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 53.63
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-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid
CID 57278729
6-[2-(3,5-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
CID 57139231
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
methyl 2-[2-(5-fluoro-2-pyridinyl)pyrrol-2-yl]-2-oxoacetate
CID 91386530
6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carbonyl chloride
CID 22099637
methyl 2-[2-(5-chloro-2-pyridinyl)pyrrol-2-yl]-2-oxoacetate
CID 91383954
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
N-(5-chloro-2-pyridinyl)-4-fluoro-2-methylbenzamide
CID 112702466
(4-fluoro-2-methylphenyl)-(4-methylphenyl)methanone
CID 12739979
6-[(2-methylbenzenecarbothioyl)amino]pyridine-3-carbonyl chloride
CID 22099782

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-2-methylbenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride?
The IUPAC name of 6-[2-(4-fluoro-2-methylbenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride (CID 57067918) is 6-[2-(4-fluoro-2-methylbenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride.
What is the SMILES notation for 6-[2-(4-fluoro-2-methylbenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride?
The canonical SMILES for 6-[2-(4-fluoro-2-methylbenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride is Cc1cc(F)ccc1C(=O)C1(c2ccc(C(=O)Cl)cn2)C=CC=N1.
What is the InChIKey of 6-[2-(4-fluoro-2-methylbenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride?
The InChIKey is CNUUPSSOMUZDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2O2/c1-11-9-13(20)4-5-14(11)16(23)18(7-2-8-22-18)15-6-3-12(10-21-15)17(19)24/h2-10H,1H3.
What are the key properties of 6-[2-(4-fluoro-2-methylbenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride?
6-[2-(4-fluoro-2-methylbenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride has a molecular weight of 342.76 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-2-methylbenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride is sourced from PubChem (CID 57067918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).