3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol

C9H13BrN2O — CID 115657175

IUPAC3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol
SMILESCC(CO)CNc1cncc(Br)c1
InChIInChI=1S/C9H13BrN2O/c1-7(6-13)3-12-9-2-8(10)4-11-5-9/h2,4-5,7,12-13H,3,6H2,1H3
InChIKeyXLOWESIDACFFBG-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.88
Rot. Bonds4

About 3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol

3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol (PubChem CID 115657175) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol
PubChem CID115657175
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol
SMILESCC(CO)CNc1cncc(Br)c1
InChIInChI=1S/C9H13BrN2O/c1-7(6-13)3-12-9-2-8(10)4-11-5-9/h2,4-5,7,12-13H,3,6H2,1H3
InChIKeyXLOWESIDACFFBG-UHFFFAOYSA-N
XLogP1.88
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol
CID 103702829
2-[(5-bromo-3-pyridinyl)amino]ethanol
CID 91636071
1-[(5-bromo-3-pyridinyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 113250573
5-bromo-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyridin-3-amine
CID 124680389
5-bromo-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-3-amine
CID 104577285
3-[(5-bromo-3-pyridinyl)amino]-2-methylbutan-2-ol
CID 130486029
5-[(5-bromo-3-pyridinyl)amino]pentan-1-ol
CID 107302585
2-[(5-bromo-3-pyridinyl)amino]-1-(4-chlorophenyl)ethanol
CID 113234114
2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride
CID 131877177
3-(3-bromo-4-methylanilino)-2-methylpropan-1-ol
CID 115871987
5-bromo-N-pentan-3-ylpyridin-3-amine
CID 115620552
3-[(3-bromo-4-pyridinyl)amino]-2-methylpropan-1-ol
CID 104777110

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol (CID 115657175) is 3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol is CC(CO)CNc1cncc(Br)c1.
What is the InChIKey of 3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol?
The InChIKey is XLOWESIDACFFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-7(6-13)3-12-9-2-8(10)4-11-5-9/h2,4-5,7,12-13H,3,6H2,1H3.
What are the key properties of 3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol?
3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol has a molecular weight of 245.12 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 115657175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).