N-(6-bromo-2-pyridinyl)-1-ethylcyclopropane-1-carboxamide

C11H13BrN2O — CID 130161849

IUPACN-(6-bromo-2-pyridinyl)-1-ethylcyclopropane-1-carboxamide
SMILESCCC1(C(=O)Nc2cccc(Br)n2)CC1
InChIInChI=1S/C11H13BrN2O/c1-2-11(6-7-11)10(15)14-9-5-3-4-8(12)13-9/h3-5H,2,6-7H2,1H3,(H,13,14,15)
InChIKeyHVYRHBVWJKALNB-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.97
Rot. Bonds3

About N-(6-bromo-2-pyridinyl)-1-ethylcyclopropane-1-carboxamide

N-(6-bromo-2-pyridinyl)-1-ethylcyclopropane-1-carboxamide (PubChem CID 130161849) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-1-ethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-1-ethylcyclopropane-1-carboxamide
PubChem CID130161849
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC NameN-(6-bromo-2-pyridinyl)-1-ethylcyclopropane-1-carboxamide
SMILESCCC1(C(=O)Nc2cccc(Br)n2)CC1
InChIInChI=1S/C11H13BrN2O/c1-2-11(6-7-11)10(15)14-9-5-3-4-8(12)13-9/h3-5H,2,6-7H2,1H3,(H,13,14,15)
InChIKeyHVYRHBVWJKALNB-UHFFFAOYSA-N
XLogP2.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.97
H-Bond Donors ≤ 51
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 N-(6-bromo-2-pyridinyl)-1-ethylcyclopropane-1-carboxamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-1-ethylcyclopropane-1-carboxamide (CID 130161849) is N-(6-bromo-2-pyridinyl)-1-ethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-1-ethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-1-ethylcyclopropane-1-carboxamide is CCC1(C(=O)Nc2cccc(Br)n2)CC1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-1-ethylcyclopropane-1-carboxamide?
The InChIKey is HVYRHBVWJKALNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-2-11(6-7-11)10(15)14-9-5-3-4-8(12)13-9/h3-5H,2,6-7H2,1H3,(H,13,14,15).
What are the key properties of N-(6-bromo-2-pyridinyl)-1-ethylcyclopropane-1-carboxamide?
N-(6-bromo-2-pyridinyl)-1-ethylcyclopropane-1-carboxamide has a molecular weight of 269.14 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-1-ethylcyclopropane-1-carboxamide is sourced from PubChem (CID 130161849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).