(4-bromo-2-pyridinyl) cyclobutanecarboxylate

C10H10BrNO2 — CID 175605072

IUPAC(4-bromo-2-pyridinyl) cyclobutanecarboxylate
SMILESO=C(Oc1cc(Br)ccn1)C1CCC1
InChIInChI=1S/C10H10BrNO2/c11-8-4-5-12-9(6-8)14-10(13)7-2-1-3-7/h4-7H,1-3H2
InChIKeyIPPFPGPIXKWQKN-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.55
Rot. Bonds2

About (4-bromo-2-pyridinyl) cyclobutanecarboxylate

(4-bromo-2-pyridinyl) cyclobutanecarboxylate (PubChem CID 175605072) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is (4-bromo-2-pyridinyl) cyclobutanecarboxylate.

Molecular Properties

Compound Name(4-bromo-2-pyridinyl) cyclobutanecarboxylate
PubChem CID175605072
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name(4-bromo-2-pyridinyl) cyclobutanecarboxylate
SMILESO=C(Oc1cc(Br)ccn1)C1CCC1
InChIInChI=1S/C10H10BrNO2/c11-8-4-5-12-9(6-8)14-10(13)7-2-1-3-7/h4-7H,1-3H2
InChIKeyIPPFPGPIXKWQKN-UHFFFAOYSA-N
XLogP2.55
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-pyridinyl) cyclobutanecarboxylate?
The IUPAC name of (4-bromo-2-pyridinyl) cyclobutanecarboxylate (CID 175605072) is (4-bromo-2-pyridinyl) cyclobutanecarboxylate.
What is the SMILES notation for (4-bromo-2-pyridinyl) cyclobutanecarboxylate?
The canonical SMILES for (4-bromo-2-pyridinyl) cyclobutanecarboxylate is O=C(Oc1cc(Br)ccn1)C1CCC1.
What is the InChIKey of (4-bromo-2-pyridinyl) cyclobutanecarboxylate?
The InChIKey is IPPFPGPIXKWQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c11-8-4-5-12-9(6-8)14-10(13)7-2-1-3-7/h4-7H,1-3H2.
What are the key properties of (4-bromo-2-pyridinyl) cyclobutanecarboxylate?
(4-bromo-2-pyridinyl) cyclobutanecarboxylate has a molecular weight of 256.10 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-pyridinyl) cyclobutanecarboxylate is sourced from PubChem (CID 175605072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).