(2S,4R)-3-chloro-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide

C10H10Cl2FN3O — CID 118323772

IUPAC(2S,4R)-3-chloro-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)n1)[C@@H]1NC[C@@H](F)C1Cl
InChIInChI=1S/C10H10Cl2FN3O/c11-6-2-1-3-7(15-6)16-10(17)9-8(12)5(13)4-14-9/h1-3,5,8-9,14H,4H2,(H,15,16,17)/t5-,8?,9-/m1/s1
InChIKeySHGSXQKHWYEMQR-CFRAHDTISA-N
MW278.11 g/mol
LogP1.59
Rot. Bonds2

About (2S,4R)-3-chloro-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide

(2S,4R)-3-chloro-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide (PubChem CID 118323772) has the molecular formula C10H10Cl2FN3O and a molecular weight of 278.11 g/mol. Its IUPAC name is (2S,4R)-3-chloro-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-3-chloro-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
PubChem CID118323772
Molecular FormulaC10H10Cl2FN3O
Molecular Weight278.11 g/mol
Exact Mass277.02
IUPAC Name(2S,4R)-3-chloro-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(Cl)n1)[C@@H]1NC[C@@H](F)C1Cl
InChIInChI=1S/C10H10Cl2FN3O/c11-6-2-1-3-7(15-6)16-10(17)9-8(12)5(13)4-14-9/h1-3,5,8-9,14H,4H2,(H,15,16,17)/t5-,8?,9-/m1/s1
InChIKeySHGSXQKHWYEMQR-CFRAHDTISA-N
XLogP1.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-3-chloro-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-3-chloro-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide (CID 118323772) is (2S,4R)-3-chloro-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-3-chloro-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-3-chloro-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide is O=C(Nc1cccc(Cl)n1)[C@@H]1NC[C@@H](F)C1Cl.
What is the InChIKey of (2S,4R)-3-chloro-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is SHGSXQKHWYEMQR-CFRAHDTISA-N. The full InChI is InChI=1S/C10H10Cl2FN3O/c11-6-2-1-3-7(15-6)16-10(17)9-8(12)5(13)4-14-9/h1-3,5,8-9,14H,4H2,(H,15,16,17)/t5-,8?,9-/m1/s1.
What are the key properties of (2S,4R)-3-chloro-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide?
(2S,4R)-3-chloro-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 278.11 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-3-chloro-N-(6-chloro-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 118323772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).