[(3R)-1-(2,6-dichloro-4-pyridinyl)pyrrolidin-3-yl]carbamic acid

C10H11Cl2N3O2 — CID 87438027

IUPAC[(3R)-1-(2,6-dichloro-4-pyridinyl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCN(c2cc(Cl)nc(Cl)c2)C1
InChIInChI=1S/C10H11Cl2N3O2/c11-8-3-7(4-9(12)14-8)15-2-1-6(5-15)13-10(16)17/h3-4,6,13H,1-2,5H2,(H,16,17)/t6-/m1/s1
InChIKeyFLGWUZHKNXWRIB-ZCFIWIBFSA-N
MW276.12 g/mol
LogP2.23
Rot. Bonds2

About [(3R)-1-(2,6-dichloro-4-pyridinyl)pyrrolidin-3-yl]carbamic acid

[(3R)-1-(2,6-dichloro-4-pyridinyl)pyrrolidin-3-yl]carbamic acid (PubChem CID 87438027) has the molecular formula C10H11Cl2N3O2 and a molecular weight of 276.12 g/mol. Its IUPAC name is [(3R)-1-(2,6-dichloro-4-pyridinyl)pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-(2,6-dichloro-4-pyridinyl)pyrrolidin-3-yl]carbamic acid
PubChem CID87438027
Molecular FormulaC10H11Cl2N3O2
Molecular Weight276.12 g/mol
Exact Mass275.02
IUPAC Name[(3R)-1-(2,6-dichloro-4-pyridinyl)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCN(c2cc(Cl)nc(Cl)c2)C1
InChIInChI=1S/C10H11Cl2N3O2/c11-8-3-7(4-9(12)14-8)15-2-1-6(5-15)13-10(16)17/h3-4,6,13H,1-2,5H2,(H,16,17)/t6-/m1/s1
InChIKeyFLGWUZHKNXWRIB-ZCFIWIBFSA-N
XLogP2.23
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.23
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 [(3R)-1-(2,6-dichloro-4-pyridinyl)pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-(2,6-dichloro-4-pyridinyl)pyrrolidin-3-yl]carbamic acid (CID 87438027) is [(3R)-1-(2,6-dichloro-4-pyridinyl)pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-(2,6-dichloro-4-pyridinyl)pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-(2,6-dichloro-4-pyridinyl)pyrrolidin-3-yl]carbamic acid is O=C(O)N[C@@H]1CCN(c2cc(Cl)nc(Cl)c2)C1.
What is the InChIKey of [(3R)-1-(2,6-dichloro-4-pyridinyl)pyrrolidin-3-yl]carbamic acid?
The InChIKey is FLGWUZHKNXWRIB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11Cl2N3O2/c11-8-3-7(4-9(12)14-8)15-2-1-6(5-15)13-10(16)17/h3-4,6,13H,1-2,5H2,(H,16,17)/t6-/m1/s1.
What are the key properties of [(3R)-1-(2,6-dichloro-4-pyridinyl)pyrrolidin-3-yl]carbamic acid?
[(3R)-1-(2,6-dichloro-4-pyridinyl)pyrrolidin-3-yl]carbamic acid has a molecular weight of 276.12 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(2,6-dichloro-4-pyridinyl)pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 87438027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).