2-[1-(5-bromo-2-pyridinyl)cyclopropyl]acetic acid

C10H10BrNO2 — CID 121455397

IUPAC2-[1-(5-bromo-2-pyridinyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc(Br)cn2)CC1
InChIInChI=1S/C10H10BrNO2/c11-7-1-2-8(12-6-7)10(3-4-10)5-9(13)14/h1-2,6H,3-5H2,(H,13,14)
InChIKeyQZWFCSVXKLOGSE-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.35
Rot. Bonds3

About 2-[1-(5-bromo-2-pyridinyl)cyclopropyl]acetic acid

2-[1-(5-bromo-2-pyridinyl)cyclopropyl]acetic acid (PubChem CID 121455397) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 2-[1-(5-bromo-2-pyridinyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-bromo-2-pyridinyl)cyclopropyl]acetic acid
PubChem CID121455397
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name2-[1-(5-bromo-2-pyridinyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc(Br)cn2)CC1
InChIInChI=1S/C10H10BrNO2/c11-7-1-2-8(12-6-7)10(3-4-10)5-9(13)14/h1-2,6H,3-5H2,(H,13,14)
InChIKeyQZWFCSVXKLOGSE-UHFFFAOYSA-N
XLogP2.35
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-2-pyridinyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(5-bromo-2-pyridinyl)cyclopropyl]acetic acid (CID 121455397) is 2-[1-(5-bromo-2-pyridinyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(5-bromo-2-pyridinyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(5-bromo-2-pyridinyl)cyclopropyl]acetic acid is O=C(O)CC1(c2ccc(Br)cn2)CC1.
What is the InChIKey of 2-[1-(5-bromo-2-pyridinyl)cyclopropyl]acetic acid?
The InChIKey is QZWFCSVXKLOGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c11-7-1-2-8(12-6-7)10(3-4-10)5-9(13)14/h1-2,6H,3-5H2,(H,13,14).
What are the key properties of 2-[1-(5-bromo-2-pyridinyl)cyclopropyl]acetic acid?
2-[1-(5-bromo-2-pyridinyl)cyclopropyl]acetic acid has a molecular weight of 256.10 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-2-pyridinyl)cyclopropyl]acetic acid is sourced from PubChem (CID 121455397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).