6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid

C17H10ClFN2O3 — CID 57278729

IUPAC6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C2(C(=O)c3cc(F)ccc3Cl)C=CC=N2)nc1
InChIInChI=1S/C17H10ClFN2O3/c18-13-4-3-11(19)8-12(13)15(22)17(6-1-7-21-17)14-5-2-10(9-20-14)16(23)24/h1-9H,(H,23,24)
InChIKeyXLDDNOIKIYBYSH-UHFFFAOYSA-N
MW344.73 g/mol
LogP3.29
Rot. Bonds4

About 6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid

6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid (PubChem CID 57278729) has the molecular formula C17H10ClFN2O3 and a molecular weight of 344.73 g/mol. Its IUPAC name is 6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid
PubChem CID57278729
Molecular FormulaC17H10ClFN2O3
Molecular Weight344.73 g/mol
Exact Mass344.04
IUPAC Name6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C2(C(=O)c3cc(F)ccc3Cl)C=CC=N2)nc1
InChIInChI=1S/C17H10ClFN2O3/c18-13-4-3-11(19)8-12(13)15(22)17(6-1-7-21-17)14-5-2-10(9-20-14)16(23)24/h1-9H,(H,23,24)
InChIKeyXLDDNOIKIYBYSH-UHFFFAOYSA-N
XLogP3.29
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.73
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
CID 57156068
6-[2-(2,4-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid
CID 57314302
6-[2-(4-fluoro-2-methylbenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
CID 57067918
6-[2-(2-methylthiophene-3-carbonyl)pyrrol-2-yl]pyridine-3-carboxylic acid
CID 57221833
6-[2-(3,5-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
CID 57139231
6-[2-(cyclohex-3-ene-1-carbonyl)pyrrol-2-yl]pyridine-3-carboxylic acid
CID 57014850
(2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone
CID 105394341
6-[(2,5-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317560
6-[(5-fluoro-2-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 115298481
6-[(3,4-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317958
methyl 2-[2-(5-chloro-2-pyridinyl)pyrrol-2-yl]-2-oxoacetate
CID 91383954
6-[(2,4-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 22099949

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid (CID 57278729) is 6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid is O=C(O)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-carboxylic acid?
The InChIKey is XLDDNOIKIYBYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN2O3/c18-13-4-3-11(19)8-12(13)15(22)17(6-1-7-21-17)14-5-2-10(9-20-14)16(23)24/h1-9H,(H,23,24).
What are the key properties of 6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid?
6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid has a molecular weight of 344.73 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 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-carboxylic acid is sourced from PubChem (CID 57278729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).