2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol

C10H15BrN2O — CID 106876368

IUPAC2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol
SMILESCc1ccnc(N(C)C(C)CO)c1Br
InChIInChI=1S/C10H15BrN2O/c1-7-4-5-12-10(9(7)11)13(3)8(2)6-14/h4-5,8,14H,6H2,1-3H3
InChIKeyDDBQLGHIDYCDGP-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.97
Rot. Bonds3

About 2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol

2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol (PubChem CID 106876368) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol
PubChem CID106876368
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol
SMILESCc1ccnc(N(C)C(C)CO)c1Br
InChIInChI=1S/C10H15BrN2O/c1-7-4-5-12-10(9(7)11)13(3)8(2)6-14/h4-5,8,14H,6H2,1-3H3
InChIKeyDDBQLGHIDYCDGP-UHFFFAOYSA-N
XLogP1.97
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]butanethioamide
CID 106875298
(2R)-2-[(3-bromo-2-pyridinyl)-methylamino]propan-1-ol
CID 130703156
3-bromo-N-(1-cyclopropylethyl)-N,4-dimethylpyridin-2-amine
CID 106876628
1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine
CID 106879126
3-bromo-N,N-diethyl-4-methylpyridin-2-amine
CID 106876527
3-bromo-N,4-dimethyl-N-(2-methylbutan-2-yl)pyridin-2-amine
CID 106877136
2-[(3-amino-2-pyridinyl)-methylamino]propan-1-ol
CID 104551058
2-[furo[3,2-c]pyridin-4-yl(methyl)amino]propan-1-ol
CID 103873021
1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine
CID 106879197
2-[methyl-(4-methylpyrimidin-2-yl)amino]propan-1-ol
CID 115765259
3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine
CID 106876953
2-[(3-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 106876373

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol?
The IUPAC name of 2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol (CID 106876368) is 2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol?
The canonical SMILES for 2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol is Cc1ccnc(N(C)C(C)CO)c1Br.
What is the InChIKey of 2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol?
The InChIKey is DDBQLGHIDYCDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-7-4-5-12-10(9(7)11)13(3)8(2)6-14/h4-5,8,14H,6H2,1-3H3.
What are the key properties of 2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol?
2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol has a molecular weight of 259.15 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methyl-2-pyridinyl)-methylamino]propan-1-ol is sourced from PubChem (CID 106876368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).