[2-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid

C14H10Br2F2N2O2 — CID 90280252

IUPAC[2-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid
SMILESO=C(O)NCC(c1cc(F)cc(F)c1)c1nc(Br)ccc1Br
InChIInChI=1S/C14H10Br2F2N2O2/c15-11-1-2-12(16)20-13(11)10(6-19-14(21)22)7-3-8(17)5-9(18)4-7/h1-5,10,19H,6H2,(H,21,22)
InChIKeyPLDNZDOEHXSWJJ-UHFFFAOYSA-N
MW436.05 g/mol
LogP4.28
Rot. Bonds4

About [2-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid

[2-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid (PubChem CID 90280252) has the molecular formula C14H10Br2F2N2O2 and a molecular weight of 436.05 g/mol. Its IUPAC name is [2-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid.

Molecular Properties

Compound Name[2-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid
PubChem CID90280252
Molecular FormulaC14H10Br2F2N2O2
Molecular Weight436.05 g/mol
Exact Mass433.91
IUPAC Name[2-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid
SMILESO=C(O)NCC(c1cc(F)cc(F)c1)c1nc(Br)ccc1Br
InChIInChI=1S/C14H10Br2F2N2O2/c15-11-1-2-12(16)20-13(11)10(6-19-14(21)22)7-3-8(17)5-9(18)4-7/h1-5,10,19H,6H2,(H,21,22)
InChIKeyPLDNZDOEHXSWJJ-UHFFFAOYSA-N
XLogP4.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.05
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [2-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid?
The IUPAC name of [2-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid (CID 90280252) is [2-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid.
What is the SMILES notation for [2-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid?
The canonical SMILES for [2-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid is O=C(O)NCC(c1cc(F)cc(F)c1)c1nc(Br)ccc1Br.
What is the InChIKey of [2-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid?
The InChIKey is PLDNZDOEHXSWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2F2N2O2/c15-11-1-2-12(16)20-13(11)10(6-19-14(21)22)7-3-8(17)5-9(18)4-7/h1-5,10,19H,6H2,(H,21,22).
What are the key properties of [2-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid?
[2-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid has a molecular weight of 436.05 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamic acid is sourced from PubChem (CID 90280252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).