2-[(6-chloro-2-pyridinyl)carbamoyl]-4-fluoropyrrolidine-1-carboxylic acid

C11H11ClFN3O3 — CID 118322630

IUPAC2-[(6-chloro-2-pyridinyl)carbamoyl]-4-fluoropyrrolidine-1-carboxylic acid
SMILESO=C(Nc1cccc(Cl)n1)C1CC(F)CN1C(=O)O
InChIInChI=1S/C11H11ClFN3O3/c12-8-2-1-3-9(14-8)15-10(17)7-4-6(13)5-16(7)11(18)19/h1-3,6-7H,4-5H2,(H,18,19)(H,14,15,17)
InChIKeyFVSCCJXMUJNBBS-UHFFFAOYSA-N
MW287.68 g/mol
LogP1.76
Rot. Bonds2

About 2-[(6-chloro-2-pyridinyl)carbamoyl]-4-fluoropyrrolidine-1-carboxylic acid

2-[(6-chloro-2-pyridinyl)carbamoyl]-4-fluoropyrrolidine-1-carboxylic acid (PubChem CID 118322630) has the molecular formula C11H11ClFN3O3 and a molecular weight of 287.68 g/mol. Its IUPAC name is 2-[(6-chloro-2-pyridinyl)carbamoyl]-4-fluoropyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[(6-chloro-2-pyridinyl)carbamoyl]-4-fluoropyrrolidine-1-carboxylic acid
PubChem CID118322630
Molecular FormulaC11H11ClFN3O3
Molecular Weight287.68 g/mol
Exact Mass287.05
IUPAC Name2-[(6-chloro-2-pyridinyl)carbamoyl]-4-fluoropyrrolidine-1-carboxylic acid
SMILESO=C(Nc1cccc(Cl)n1)C1CC(F)CN1C(=O)O
InChIInChI=1S/C11H11ClFN3O3/c12-8-2-1-3-9(14-8)15-10(17)7-4-6(13)5-16(7)11(18)19/h1-3,6-7H,4-5H2,(H,18,19)(H,14,15,17)
InChIKeyFVSCCJXMUJNBBS-UHFFFAOYSA-N
XLogP1.76
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.68
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3E)-1-(3-chloro-2-pyridinyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea
CID 136124386
N-(5-chloropyridin-2-yl)-2-oxo-2-(pyrrolidin-1-yl)acetamide
CID 17587386
(2S)-1-(3-chloro-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 97821329
(2S)-N-(6-fluoro-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58763330
(2S)-1-(4-chlorophenyl)-N-[6-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxamide
CID 67953289
N-(6-fluoro-2-pyridinyl)pyrrolidine-2-carboxamide
CID 72416070
1-(4-chlorophenyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 77437702
(2S,4R)-2-[(2,6-dichloro-4-pyridinyl)methylcarbamoyl]-4-fluoropyrrolidine-1-carboxylic acid
CID 118008086
(2S,4R)-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
CID 118322514
(2S,4R)-tert-Butyl 2-((6-chloropyridin-2-yl)carbamoyl)-4-fluoropyrrolidine-1-carboxylate
CID 118322623
2-[(6-Bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidine-1-carboxylic acid
CID 118323505
(2S,4R)-3-chloro-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
CID 118323772

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-pyridinyl)carbamoyl]-4-fluoropyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[(6-chloro-2-pyridinyl)carbamoyl]-4-fluoropyrrolidine-1-carboxylic acid (CID 118322630) is 2-[(6-chloro-2-pyridinyl)carbamoyl]-4-fluoropyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[(6-chloro-2-pyridinyl)carbamoyl]-4-fluoropyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[(6-chloro-2-pyridinyl)carbamoyl]-4-fluoropyrrolidine-1-carboxylic acid is O=C(Nc1cccc(Cl)n1)C1CC(F)CN1C(=O)O.
What is the InChIKey of 2-[(6-chloro-2-pyridinyl)carbamoyl]-4-fluoropyrrolidine-1-carboxylic acid?
The InChIKey is FVSCCJXMUJNBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O3/c12-8-2-1-3-9(14-8)15-10(17)7-4-6(13)5-16(7)11(18)19/h1-3,6-7H,4-5H2,(H,18,19)(H,14,15,17).
What are the key properties of 2-[(6-chloro-2-pyridinyl)carbamoyl]-4-fluoropyrrolidine-1-carboxylic acid?
2-[(6-chloro-2-pyridinyl)carbamoyl]-4-fluoropyrrolidine-1-carboxylic acid has a molecular weight of 287.68 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-pyridinyl)carbamoyl]-4-fluoropyrrolidine-1-carboxylic acid is sourced from PubChem (CID 118322630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).