[5-[[(5-bromo-2-pyridinyl)amino]methyl]furan-2-yl]methanol

C11H11BrN2O2 — CID 115924605

IUPAC[5-[[(5-bromo-2-pyridinyl)amino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ccc(Br)cn2)o1
InChIInChI=1S/C11H11BrN2O2/c12-8-1-4-11(13-5-8)14-6-9-2-3-10(7-15)16-9/h1-5,15H,6-7H2,(H,13,14)
InChIKeyFMYFIZVYRNFKKP-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.54
Rot. Bonds4

About [5-[[(5-bromo-2-pyridinyl)amino]methyl]furan-2-yl]methanol

[5-[[(5-bromo-2-pyridinyl)amino]methyl]furan-2-yl]methanol (PubChem CID 115924605) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is [5-[[(5-bromo-2-pyridinyl)amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[(5-bromo-2-pyridinyl)amino]methyl]furan-2-yl]methanol
PubChem CID115924605
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name[5-[[(5-bromo-2-pyridinyl)amino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ccc(Br)cn2)o1
InChIInChI=1S/C11H11BrN2O2/c12-8-1-4-11(13-5-8)14-6-9-2-3-10(7-15)16-9/h1-5,15H,6-7H2,(H,13,14)
InChIKeyFMYFIZVYRNFKKP-UHFFFAOYSA-N
XLogP2.54
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[[(5-fluoro-2-pyridinyl)amino]methyl]furan-2-yl]methanol
CID 115925040
[5-[(pyridin-2-ylamino)methyl]furan-2-yl]methanol
CID 115692590
5-bromo-N-(furan-2-ylmethyl)pyridin-2-amine
CID 28541636
[5-[(2,4-dibromoanilino)methyl]furan-2-yl]methanol
CID 64579776
N-[[4-(aminomethyl)phenyl]methyl]-5-bromopyridin-2-amine
CID 60917735
[5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol
CID 64591606
5-bromo-N-[(3-bromothiophen-2-yl)methyl]pyridin-2-amine
CID 78999146
2-[(5-bromo-2-pyridinyl)amino]propane-1,3-diol
CID 65314489
2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 103844350
[5-[(2-bromo-4-chloroanilino)methyl]furan-2-yl]methanol
CID 81263655
5-bromo-N-(naphthalen-2-ylmethyl)pyridin-2-amine
CID 115146732
7-[(5-bromo-2-pyridinyl)amino]heptanoic acid
CID 24701669

Frequently Asked Questions

What is the IUPAC name of [5-[[(5-bromo-2-pyridinyl)amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[(5-bromo-2-pyridinyl)amino]methyl]furan-2-yl]methanol (CID 115924605) is [5-[[(5-bromo-2-pyridinyl)amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[(5-bromo-2-pyridinyl)amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[(5-bromo-2-pyridinyl)amino]methyl]furan-2-yl]methanol is OCc1ccc(CNc2ccc(Br)cn2)o1.
What is the InChIKey of [5-[[(5-bromo-2-pyridinyl)amino]methyl]furan-2-yl]methanol?
The InChIKey is FMYFIZVYRNFKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c12-8-1-4-11(13-5-8)14-6-9-2-3-10(7-15)16-9/h1-5,15H,6-7H2,(H,13,14).
What are the key properties of [5-[[(5-bromo-2-pyridinyl)amino]methyl]furan-2-yl]methanol?
[5-[[(5-bromo-2-pyridinyl)amino]methyl]furan-2-yl]methanol has a molecular weight of 283.12 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(5-bromo-2-pyridinyl)amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 115924605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).