(5-bromo-3-fluoro-2-pyridinyl)methyl-tert-butylcarbamic acid

C11H14BrFN2O2 — CID 68716179

IUPAC(5-bromo-3-fluoro-2-pyridinyl)methyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(Cc1ncc(Br)cc1F)C(=O)O
InChIInChI=1S/C11H14BrFN2O2/c1-11(2,3)15(10(16)17)6-9-8(13)4-7(12)5-14-9/h4-5H,6H2,1-3H3,(H,16,17)
InChIKeyAYSWZRUANCKXNT-UHFFFAOYSA-N
MW305.15 g/mol
LogP3.26
Rot. Bonds2

About (5-bromo-3-fluoro-2-pyridinyl)methyl-tert-butylcarbamic acid

(5-bromo-3-fluoro-2-pyridinyl)methyl-tert-butylcarbamic acid (PubChem CID 68716179) has the molecular formula C11H14BrFN2O2 and a molecular weight of 305.15 g/mol. Its IUPAC name is (5-bromo-3-fluoro-2-pyridinyl)methyl-tert-butylcarbamic acid.

Molecular Properties

Compound Name(5-bromo-3-fluoro-2-pyridinyl)methyl-tert-butylcarbamic acid
PubChem CID68716179
Molecular FormulaC11H14BrFN2O2
Molecular Weight305.15 g/mol
Exact Mass304.02
IUPAC Name(5-bromo-3-fluoro-2-pyridinyl)methyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(Cc1ncc(Br)cc1F)C(=O)O
InChIInChI=1S/C11H14BrFN2O2/c1-11(2,3)15(10(16)17)6-9-8(13)4-7(12)5-14-9/h4-5H,6H2,1-3H3,(H,16,17)
InChIKeyAYSWZRUANCKXNT-UHFFFAOYSA-N
XLogP3.26
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-fluoro-2-pyridinyl)methyl-tert-butylcarbamic acid?
The IUPAC name of (5-bromo-3-fluoro-2-pyridinyl)methyl-tert-butylcarbamic acid (CID 68716179) is (5-bromo-3-fluoro-2-pyridinyl)methyl-tert-butylcarbamic acid.
What is the SMILES notation for (5-bromo-3-fluoro-2-pyridinyl)methyl-tert-butylcarbamic acid?
The canonical SMILES for (5-bromo-3-fluoro-2-pyridinyl)methyl-tert-butylcarbamic acid is CC(C)(C)N(Cc1ncc(Br)cc1F)C(=O)O.
What is the InChIKey of (5-bromo-3-fluoro-2-pyridinyl)methyl-tert-butylcarbamic acid?
The InChIKey is AYSWZRUANCKXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2/c1-11(2,3)15(10(16)17)6-9-8(13)4-7(12)5-14-9/h4-5H,6H2,1-3H3,(H,16,17).
What are the key properties of (5-bromo-3-fluoro-2-pyridinyl)methyl-tert-butylcarbamic acid?
(5-bromo-3-fluoro-2-pyridinyl)methyl-tert-butylcarbamic acid has a molecular weight of 305.15 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-fluoro-2-pyridinyl)methyl-tert-butylcarbamic acid is sourced from PubChem (CID 68716179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).