6-[2-[2-(2-methylfuran-3-yl)acetyl]pyrrol-2-yl]pyridine-3-carbonyl chloride

C17H13ClN2O3 — CID 57131484

IUPAC6-[2-[2-(2-methylfuran-3-yl)acetyl]pyrrol-2-yl]pyridine-3-carbonyl chloride
SMILESCc1occc1CC(=O)C1(c2ccc(C(=O)Cl)cn2)C=CC=N1
InChIInChI=1S/C17H13ClN2O3/c1-11-12(5-8-23-11)9-15(21)17(6-2-7-20-17)14-4-3-13(10-19-14)16(18)22/h2-8,10H,9H2,1H3
InChIKeyIHHGVXSKQQTZTQ-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.01
Rot. Bonds5

About 6-[2-[2-(2-methylfuran-3-yl)acetyl]pyrrol-2-yl]pyridine-3-carbonyl chloride

6-[2-[2-(2-methylfuran-3-yl)acetyl]pyrrol-2-yl]pyridine-3-carbonyl chloride (PubChem CID 57131484) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 6-[2-[2-(2-methylfuran-3-yl)acetyl]pyrrol-2-yl]pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-[2-[2-(2-methylfuran-3-yl)acetyl]pyrrol-2-yl]pyridine-3-carbonyl chloride
PubChem CID57131484
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name6-[2-[2-(2-methylfuran-3-yl)acetyl]pyrrol-2-yl]pyridine-3-carbonyl chloride
SMILESCc1occc1CC(=O)C1(c2ccc(C(=O)Cl)cn2)C=CC=N1
InChIInChI=1S/C17H13ClN2O3/c1-11-12(5-8-23-11)9-15(21)17(6-2-7-20-17)14-4-3-13(10-19-14)16(18)22/h2-8,10H,9H2,1H3
InChIKeyIHHGVXSKQQTZTQ-UHFFFAOYSA-N
XLogP3.01
TPSA72.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

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-(cyclopentanecarbonyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
CID 57075872
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
methyl 2-[2-(5-chloro-2-pyridinyl)pyrrol-2-yl]-2-oxoacetate
CID 91383954
6-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
CID 66463145
2-(2-methylfuran-3-yl)ethanethioate
CID 22731656
methyl 2-[2-(5-fluoro-2-pyridinyl)pyrrol-2-yl]-2-oxoacetate
CID 91386530
5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide
CID 107253049
6-(cyclopropylamino)-N-[(2-methylfuran-3-yl)methyl]pyridine-3-carboxamide
CID 75417135
6-(dimethylamino)pyridine-3-carbonyl chloride
CID 45081550

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(2-methylfuran-3-yl)acetyl]pyrrol-2-yl]pyridine-3-carbonyl chloride?
The IUPAC name of 6-[2-[2-(2-methylfuran-3-yl)acetyl]pyrrol-2-yl]pyridine-3-carbonyl chloride (CID 57131484) is 6-[2-[2-(2-methylfuran-3-yl)acetyl]pyrrol-2-yl]pyridine-3-carbonyl chloride.
What is the SMILES notation for 6-[2-[2-(2-methylfuran-3-yl)acetyl]pyrrol-2-yl]pyridine-3-carbonyl chloride?
The canonical SMILES for 6-[2-[2-(2-methylfuran-3-yl)acetyl]pyrrol-2-yl]pyridine-3-carbonyl chloride is Cc1occc1CC(=O)C1(c2ccc(C(=O)Cl)cn2)C=CC=N1.
What is the InChIKey of 6-[2-[2-(2-methylfuran-3-yl)acetyl]pyrrol-2-yl]pyridine-3-carbonyl chloride?
The InChIKey is IHHGVXSKQQTZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-11-12(5-8-23-11)9-15(21)17(6-2-7-20-17)14-4-3-13(10-19-14)16(18)22/h2-8,10H,9H2,1H3.
What are the key properties of 6-[2-[2-(2-methylfuran-3-yl)acetyl]pyrrol-2-yl]pyridine-3-carbonyl chloride?
6-[2-[2-(2-methylfuran-3-yl)acetyl]pyrrol-2-yl]pyridine-3-carbonyl chloride has a molecular weight of 328.76 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(2-methylfuran-3-yl)acetyl]pyrrol-2-yl]pyridine-3-carbonyl chloride is sourced from PubChem (CID 57131484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).