3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol

C10H15BrN2O — CID 115774135

IUPAC3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
SMILESCc1cc(NC(C)CCO)ncc1Br
InChIInChI=1S/C10H15BrN2O/c1-7-5-10(12-6-9(7)11)13-8(2)3-4-14/h5-6,8,14H,3-4H2,1-2H3,(H,12,13)
InChIKeyZAXVJZCQVDYRKM-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.34
Rot. Bonds4

About 3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol

3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol (PubChem CID 115774135) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
PubChem CID115774135
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
SMILESCc1cc(NC(C)CCO)ncc1Br
InChIInChI=1S/C10H15BrN2O/c1-7-5-10(12-6-9(7)11)13-8(2)3-4-14/h5-6,8,14H,3-4H2,1-2H3,(H,12,13)
InChIKeyZAXVJZCQVDYRKM-UHFFFAOYSA-N
XLogP2.34
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(2S)-butan-2-yl]-4-methylpyridin-2-amine
CID 86323877
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-3-thiophen-2-ylpropan-1-ol
CID 133403078
(3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523222
(3R)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523223
5-bromo-4-methyl-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 114869215
(3R)-3-[(4-bromo-2-pyridinyl)amino]butan-1-ol
CID 130668971
3-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylpentane-1,3-diamine
CID 106357544
2-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 114869550
3-[(5-bromo-2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 131183416
3-[(5-bromo-4-methyl-2-pyridinyl)amino]propan-1-ol
CID 53409461
5-bromo-4-methyl-N-[(2S)-1,1,1-trifluorobutan-2-yl]pyridin-2-amine
CID 157426912
5-bromo-N-[1-(furan-2-yl)propan-2-yl]-4-methylpyridin-2-amine
CID 115773907

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol (CID 115774135) is 3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for 3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for 3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol is Cc1cc(NC(C)CCO)ncc1Br.
What is the InChIKey of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol?
The InChIKey is ZAXVJZCQVDYRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-7-5-10(12-6-9(7)11)13-8(2)3-4-14/h5-6,8,14H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol?
3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol has a molecular weight of 259.15 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 115774135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).