4-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]butan-2-ol

C11H17BrN2O — CID 103915166

IUPAC4-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]butan-2-ol
SMILESCc1nc(N(C)CCC(C)O)ccc1Br
InChIInChI=1S/C11H17BrN2O/c1-8(15)6-7-14(3)11-5-4-10(12)9(2)13-11/h4-5,8,15H,6-7H2,1-3H3
InChIKeyHUBQWGNANXRTGU-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.36
Rot. Bonds4

About 4-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]butan-2-ol

4-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]butan-2-ol (PubChem CID 103915166) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 4-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]butan-2-ol
PubChem CID103915166
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name4-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]butan-2-ol
SMILESCc1nc(N(C)CCC(C)O)ccc1Br
InChIInChI=1S/C11H17BrN2O/c1-8(15)6-7-14(3)11-5-4-10(12)9(2)13-11/h4-5,8,15H,6-7H2,1-3H3
InChIKeyHUBQWGNANXRTGU-UHFFFAOYSA-N
XLogP2.36
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N,6-dimethyl-N-(4-methylpentyl)pyridin-2-amine
CID 115148353
5-bromo-N-(3-methoxypropyl)-N,6-dimethylpyridin-2-amine
CID 103915135
1-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]-3-methoxypropan-2-ol
CID 75443197
5-bromo-N,N,6-trimethylpyridin-2-amine
CID 69256889
4-[methyl-(4-methyl-2-pyridinyl)amino]butan-2-ol
CID 115695412
(2R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]butan-2-ol
CID 126988382
5-bromo-N,6-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridin-2-amine
CID 115148377
4-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-2-ol
CID 113337645
5-bromo-N,6-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 103915087
4-[(4-bromo-1,3-thiazol-2-yl)-methylamino]butan-2-ol
CID 104696832
4-[(3,6-dimethylpyrazin-2-yl)-methylamino]butan-2-ol
CID 104695546
4-[methyl(pyridin-4-yl)amino]butan-2-ol
CID 115745235

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]butan-2-ol?
The IUPAC name of 4-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]butan-2-ol (CID 103915166) is 4-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]butan-2-ol.
What is the SMILES notation for 4-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]butan-2-ol?
The canonical SMILES for 4-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]butan-2-ol is Cc1nc(N(C)CCC(C)O)ccc1Br.
What is the InChIKey of 4-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]butan-2-ol?
The InChIKey is HUBQWGNANXRTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-8(15)6-7-14(3)11-5-4-10(12)9(2)13-11/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of 4-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]butan-2-ol?
4-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]butan-2-ol has a molecular weight of 273.17 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]butan-2-ol is sourced from PubChem (CID 103915166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).