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

C16H15ClN2O2 — CID 57075872

IUPAC6-[2-(cyclopentanecarbonyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1ccc(C2(C(=O)C3CCCC3)C=CC=N2)nc1
InChIInChI=1S/C16H15ClN2O2/c17-15(21)12-6-7-13(18-10-12)16(8-3-9-19-16)14(20)11-4-1-2-5-11/h3,6-11H,1-2,4-5H2
InChIKeyTZEOKHHOOUZDNF-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.06
Rot. Bonds4

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

6-[2-(cyclopentanecarbonyl)pyrrol-2-yl]pyridine-3-carbonyl chloride (PubChem CID 57075872) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 6-[2-(cyclopentanecarbonyl)pyrrol-2-yl]pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-[2-(cyclopentanecarbonyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
PubChem CID57075872
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name6-[2-(cyclopentanecarbonyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1ccc(C2(C(=O)C3CCCC3)C=CC=N2)nc1
InChIInChI=1S/C16H15ClN2O2/c17-15(21)12-6-7-13(18-10-12)16(8-3-9-19-16)14(20)11-4-1-2-5-11/h3,6-11H,1-2,4-5H2
InChIKeyTZEOKHHOOUZDNF-UHFFFAOYSA-N
XLogP3.06
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.06
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-(cyclohex-3-ene-1-carbonyl)pyrrol-2-yl]pyridine-3-carboxylic acid
CID 57014850
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-(2-chloro-5-fluorobenzoyl)pyrrol-2-yl]pyridine-3-carbonyl chloride
CID 57156068
6-[2-[2-(2-methylfuran-3-yl)acetyl]pyrrol-2-yl]pyridine-3-carbonyl chloride
CID 57131484
6-[2-(2,4-dichlorobenzoyl)pyrrol-2-yl]pyridine-3-carboxylic acid
CID 57314302
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-(cyclopropylmethoxy)pyridine-3-carbonyl chloride
CID 118481303
methyl 2-[2-(5-fluoro-2-pyridinyl)pyrrol-2-yl]-2-oxoacetate
CID 91386530
6-(cyclopentanecarbonylamino)pyridine-3-carboxylic acid
CID 22099684
cyclohexyl-(6-methyl-3-pyridinyl)methanone
CID 63155759

Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclopentanecarbonyl)pyrrol-2-yl]pyridine-3-carbonyl chloride?
The IUPAC name of 6-[2-(cyclopentanecarbonyl)pyrrol-2-yl]pyridine-3-carbonyl chloride (CID 57075872) is 6-[2-(cyclopentanecarbonyl)pyrrol-2-yl]pyridine-3-carbonyl chloride.
What is the SMILES notation for 6-[2-(cyclopentanecarbonyl)pyrrol-2-yl]pyridine-3-carbonyl chloride?
The canonical SMILES for 6-[2-(cyclopentanecarbonyl)pyrrol-2-yl]pyridine-3-carbonyl chloride is O=C(Cl)c1ccc(C2(C(=O)C3CCCC3)C=CC=N2)nc1.
What is the InChIKey of 6-[2-(cyclopentanecarbonyl)pyrrol-2-yl]pyridine-3-carbonyl chloride?
The InChIKey is TZEOKHHOOUZDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-15(21)12-6-7-13(18-10-12)16(8-3-9-19-16)14(20)11-4-1-2-5-11/h3,6-11H,1-2,4-5H2.
What are the key properties of 6-[2-(cyclopentanecarbonyl)pyrrol-2-yl]pyridine-3-carbonyl chloride?
6-[2-(cyclopentanecarbonyl)pyrrol-2-yl]pyridine-3-carbonyl chloride has a molecular weight of 302.76 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclopentanecarbonyl)pyrrol-2-yl]pyridine-3-carbonyl chloride is sourced from PubChem (CID 57075872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).