6-[2-(2,4-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid

C17H10Cl2N2O3 — CID 57314302

IUPAC6-[2-(2,4-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C2(C(=O)c3ccc(Cl)cc3Cl)C=CC=N2)nc1
InChIInChI=1S/C17H10Cl2N2O3/c18-11-3-4-12(13(19)8-11)15(22)17(6-1-7-21-17)14-5-2-10(9-20-14)16(23)24/h1-9H,(H,23,24)
InChIKeyDFDJFBFDHFQHLY-UHFFFAOYSA-N
MW361.18 g/mol
LogP3.81
Rot. Bonds4

About 6-[2-(2,4-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid

6-[2-(2,4-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid (PubChem CID 57314302) has the molecular formula C17H10Cl2N2O3 and a molecular weight of 361.18 g/mol. Its IUPAC name is 6-[2-(2,4-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(2,4-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid
PubChem CID57314302
Molecular FormulaC17H10Cl2N2O3
Molecular Weight361.18 g/mol
Exact Mass360.01
IUPAC Name6-[2-(2,4-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C2(C(=O)c3ccc(Cl)cc3Cl)C=CC=N2)nc1
InChIInChI=1S/C17H10Cl2N2O3/c18-11-3-4-12(13(19)8-11)15(22)17(6-1-7-21-17)14-5-2-10(9-20-14)16(23)24/h1-9H,(H,23,24)
InChIKeyDFDJFBFDHFQHLY-UHFFFAOYSA-N
XLogP3.81
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 53.81
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-carboxylic acid
CID 57278729
6-[2-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
CID 57156068
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-(4-fluoro-2-methylbenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
CID 57067918
6-[2-(cyclohex-3-ene-1-carbonyl)pyrrol-2-yl]pyridine-3-carboxylic acid
CID 57014850
3-[3-[[2-(2,4-dichlorobenzoyl)pyrrol-2-yl]methyl]phenyl]benzoic acid
CID 91471022
methyl 2-[2-(5-chloro-2-pyridinyl)pyrrol-2-yl]-2-oxoacetate
CID 91383954
6-[(2,5-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 22099748
6-(4-chloro-2-fluoroanilino)pyridine-3-carboxylic acid
CID 54954335
6-[2-[2-(2-methylfuran-3-yl)acetyl]pyrrol-2-yl]pyridine-3-carbonyl chloride
CID 57131484
3-[3-[[2-(2,4-dichlorobenzoyl)pyrrol-2-yl]methyl]-4-propoxyphenyl]-5-fluorobenzoic acid
CID 90962168

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,4-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(2,4-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid (CID 57314302) is 6-[2-(2,4-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(2,4-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(2,4-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(C2(C(=O)c3ccc(Cl)cc3Cl)C=CC=N2)nc1.
What is the InChIKey of 6-[2-(2,4-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid?
The InChIKey is DFDJFBFDHFQHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N2O3/c18-11-3-4-12(13(19)8-11)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-(2,4-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid?
6-[2-(2,4-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid has a molecular weight of 361.18 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,4-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 57314302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).