(2S,4R)-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide

C10H11ClFN3O — CID 118322514

IUPAC(2S,4R)-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)n1)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C10H11ClFN3O/c11-8-2-1-3-9(14-8)15-10(16)7-4-6(12)5-13-7/h1-3,6-7,13H,4-5H2,(H,14,15,16)/t6-,7+/m1/s1
InChIKeyRSRWVYBXINJXTC-RQJHMYQMSA-N
MW243.67 g/mol
LogP1.37
Rot. Bonds2

About (2S,4R)-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide

(2S,4R)-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide (PubChem CID 118322514) has the molecular formula C10H11ClFN3O and a molecular weight of 243.67 g/mol. Its IUPAC name is (2S,4R)-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
PubChem CID118322514
Molecular FormulaC10H11ClFN3O
Molecular Weight243.67 g/mol
Exact Mass243.06
IUPAC Name(2S,4R)-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)n1)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C10H11ClFN3O/c11-8-2-1-3-9(14-8)15-10(16)7-4-6(12)5-13-7/h1-3,6-7,13H,4-5H2,(H,14,15,16)/t6-,7+/m1/s1
InChIKeyRSRWVYBXINJXTC-RQJHMYQMSA-N
XLogP1.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.67
LogP ≤ 51.37
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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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide (CID 118322514) is (2S,4R)-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide is O=C(Nc1cccc(Cl)n1)[C@@H]1C[C@@H](F)CN1.
What is the InChIKey of (2S,4R)-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is RSRWVYBXINJXTC-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H11ClFN3O/c11-8-2-1-3-9(14-8)15-10(16)7-4-6(12)5-13-7/h1-3,6-7,13H,4-5H2,(H,14,15,16)/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide?
(2S,4R)-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 243.67 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 118322514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).