2-[(2-bromoprop-2-enylamino)methyl]-6-methylpyridin-3-ol

C10H13BrN2O — CID 115614759

IUPAC2-[(2-bromoprop-2-enylamino)methyl]-6-methylpyridin-3-ol
SMILESC=C(Br)CNCc1nc(C)ccc1O
InChIInChI=1S/C10H13BrN2O/c1-7(11)5-12-6-9-10(14)4-3-8(2)13-9/h3-4,12,14H,1,5-6H2,2H3
InChIKeyOTVXICAVNHLMLT-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.09
Rot. Bonds4

About 2-[(2-bromoprop-2-enylamino)methyl]-6-methylpyridin-3-ol

2-[(2-bromoprop-2-enylamino)methyl]-6-methylpyridin-3-ol (PubChem CID 115614759) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-[(2-bromoprop-2-enylamino)methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[(2-bromoprop-2-enylamino)methyl]-6-methylpyridin-3-ol
PubChem CID115614759
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name2-[(2-bromoprop-2-enylamino)methyl]-6-methylpyridin-3-ol
SMILESC=C(Br)CNCc1nc(C)ccc1O
InChIInChI=1S/C10H13BrN2O/c1-7(11)5-12-6-9-10(14)4-3-8(2)13-9/h3-4,12,14H,1,5-6H2,2H3
InChIKeyOTVXICAVNHLMLT-UHFFFAOYSA-N
XLogP2.09
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromoprop-2-enylamino)methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[(2-bromoprop-2-enylamino)methyl]-6-methylpyridin-3-ol (CID 115614759) is 2-[(2-bromoprop-2-enylamino)methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[(2-bromoprop-2-enylamino)methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[(2-bromoprop-2-enylamino)methyl]-6-methylpyridin-3-ol is C=C(Br)CNCc1nc(C)ccc1O.
What is the InChIKey of 2-[(2-bromoprop-2-enylamino)methyl]-6-methylpyridin-3-ol?
The InChIKey is OTVXICAVNHLMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-7(11)5-12-6-9-10(14)4-3-8(2)13-9/h3-4,12,14H,1,5-6H2,2H3.
What are the key properties of 2-[(2-bromoprop-2-enylamino)methyl]-6-methylpyridin-3-ol?
2-[(2-bromoprop-2-enylamino)methyl]-6-methylpyridin-3-ol has a molecular weight of 257.13 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromoprop-2-enylamino)methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 115614759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).