N-(3-bromo-5-fluoro-2-pyridinyl)oxolane-2-carboxamide

C10H10BrFN2O2 — CID 110495743

IUPACN-(3-bromo-5-fluoro-2-pyridinyl)oxolane-2-carboxamide
SMILESO=C(Nc1ncc(F)cc1Br)C1CCCO1
InChIInChI=1S/C10H10BrFN2O2/c11-7-4-6(12)5-13-9(7)14-10(15)8-2-1-3-16-8/h4-5,8H,1-3H2,(H,13,14,15)
InChIKeyXMFZHKSYFGVYHA-UHFFFAOYSA-N
MW289.10 g/mol
LogP2.10
Rot. Bonds2

About N-(3-bromo-5-fluoro-2-pyridinyl)oxolane-2-carboxamide

N-(3-bromo-5-fluoro-2-pyridinyl)oxolane-2-carboxamide (PubChem CID 110495743) has the molecular formula C10H10BrFN2O2 and a molecular weight of 289.10 g/mol. Its IUPAC name is N-(3-bromo-5-fluoro-2-pyridinyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-fluoro-2-pyridinyl)oxolane-2-carboxamide
PubChem CID110495743
Molecular FormulaC10H10BrFN2O2
Molecular Weight289.10 g/mol
Exact Mass287.99
IUPAC NameN-(3-bromo-5-fluoro-2-pyridinyl)oxolane-2-carboxamide
SMILESO=C(Nc1ncc(F)cc1Br)C1CCCO1
InChIInChI=1S/C10H10BrFN2O2/c11-7-4-6(12)5-13-9(7)14-10(15)8-2-1-3-16-8/h4-5,8H,1-3H2,(H,13,14,15)
InChIKeyXMFZHKSYFGVYHA-UHFFFAOYSA-N
XLogP2.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.10
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-fluoro-2-pyridinyl)oxolane-2-carboxamide?
The IUPAC name of N-(3-bromo-5-fluoro-2-pyridinyl)oxolane-2-carboxamide (CID 110495743) is N-(3-bromo-5-fluoro-2-pyridinyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(3-bromo-5-fluoro-2-pyridinyl)oxolane-2-carboxamide?
The canonical SMILES for N-(3-bromo-5-fluoro-2-pyridinyl)oxolane-2-carboxamide is O=C(Nc1ncc(F)cc1Br)C1CCCO1.
What is the InChIKey of N-(3-bromo-5-fluoro-2-pyridinyl)oxolane-2-carboxamide?
The InChIKey is XMFZHKSYFGVYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O2/c11-7-4-6(12)5-13-9(7)14-10(15)8-2-1-3-16-8/h4-5,8H,1-3H2,(H,13,14,15).
What are the key properties of N-(3-bromo-5-fluoro-2-pyridinyl)oxolane-2-carboxamide?
N-(3-bromo-5-fluoro-2-pyridinyl)oxolane-2-carboxamide has a molecular weight of 289.10 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-fluoro-2-pyridinyl)oxolane-2-carboxamide is sourced from PubChem (CID 110495743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).