N-(3-bromo-2-pyridinyl)-2-chlorofuran-3-carboxamide

C10H6BrClN2O2 — CID 106685084

IUPACN-(3-bromo-2-pyridinyl)-2-chlorofuran-3-carboxamide
SMILESO=C(Nc1ncccc1Br)c1ccoc1Cl
InChIInChI=1S/C10H6BrClN2O2/c11-7-2-1-4-13-9(7)14-10(15)6-3-5-16-8(6)12/h1-5H,(H,13,14,15)
InChIKeyMYPGVDYFSPSLAA-UHFFFAOYSA-N
MW301.53 g/mol
LogP3.34
Rot. Bonds2

About N-(3-bromo-2-pyridinyl)-2-chlorofuran-3-carboxamide

N-(3-bromo-2-pyridinyl)-2-chlorofuran-3-carboxamide (PubChem CID 106685084) has the molecular formula C10H6BrClN2O2 and a molecular weight of 301.53 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-2-chlorofuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-2-chlorofuran-3-carboxamide
PubChem CID106685084
Molecular FormulaC10H6BrClN2O2
Molecular Weight301.53 g/mol
Exact Mass299.93
IUPAC NameN-(3-bromo-2-pyridinyl)-2-chlorofuran-3-carboxamide
SMILESO=C(Nc1ncccc1Br)c1ccoc1Cl
InChIInChI=1S/C10H6BrClN2O2/c11-7-2-1-4-13-9(7)14-10(15)6-3-5-16-8(6)12/h1-5H,(H,13,14,15)
InChIKeyMYPGVDYFSPSLAA-UHFFFAOYSA-N
XLogP3.34
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-2-chlorofuran-3-carboxamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-2-chlorofuran-3-carboxamide (CID 106685084) is N-(3-bromo-2-pyridinyl)-2-chlorofuran-3-carboxamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-2-chlorofuran-3-carboxamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-2-chlorofuran-3-carboxamide is O=C(Nc1ncccc1Br)c1ccoc1Cl.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-2-chlorofuran-3-carboxamide?
The InChIKey is MYPGVDYFSPSLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN2O2/c11-7-2-1-4-13-9(7)14-10(15)6-3-5-16-8(6)12/h1-5H,(H,13,14,15).
What are the key properties of N-(3-bromo-2-pyridinyl)-2-chlorofuran-3-carboxamide?
N-(3-bromo-2-pyridinyl)-2-chlorofuran-3-carboxamide has a molecular weight of 301.53 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-2-chlorofuran-3-carboxamide is sourced from PubChem (CID 106685084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).