2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide

C12H11BrN2O2 — CID 103753929

IUPAC2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccco1)c1cccnc1Br
InChIInChI=1S/C12H11BrN2O2/c13-11-10(4-1-6-14-11)12(16)15-7-5-9-3-2-8-17-9/h1-4,6,8H,5,7H2,(H,15,16)
InChIKeyQCHRTZXBGPAIFY-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.41
Rot. Bonds4

About 2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide

2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 103753929) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID103753929
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccco1)c1cccnc1Br
InChIInChI=1S/C12H11BrN2O2/c13-11-10(4-1-6-14-11)12(16)15-7-5-9-3-2-8-17-9/h1-4,6,8H,5,7H2,(H,15,16)
InChIKeyQCHRTZXBGPAIFY-UHFFFAOYSA-N
XLogP2.41
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide
CID 113386431
2-bromo-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 103819583
N-[2-(furan-2-yl)ethyl]-2-hydrazinylbenzamide
CID 62249792
5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 65309421
3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 61140792
3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide
CID 112575697
N-[2-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 110745469
N-[2-(furan-2-yl)ethyl]-4-(pyrimidin-2-ylamino)benzamide
CID 71708375
2-bromo-N-pent-4-ynylpyridine-3-carboxamide
CID 103755606
2-bromo-N-[3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 103754952
2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 103755462
2-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 113255537

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide (CID 103753929) is 2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide is O=C(NCCc1ccco1)c1cccnc1Br.
What is the InChIKey of 2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is QCHRTZXBGPAIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c13-11-10(4-1-6-14-11)12(16)15-7-5-9-3-2-8-17-9/h1-4,6,8H,5,7H2,(H,15,16).
What are the key properties of 2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide?
2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 103753929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).