3-[(3-bromo-4-pyridinyl)amino]-2-methylpropan-1-ol

C9H13BrN2O — CID 104777110

IUPAC3-[(3-bromo-4-pyridinyl)amino]-2-methylpropan-1-ol
SMILESCC(CO)CNc1ccncc1Br
InChIInChI=1S/C9H13BrN2O/c1-7(6-13)4-12-9-2-3-11-5-8(9)10/h2-3,5,7,13H,4,6H2,1H3,(H,11,12)
InChIKeyOXOXCXOKDKHNSW-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.88
Rot. Bonds4

About 3-[(3-bromo-4-pyridinyl)amino]-2-methylpropan-1-ol

3-[(3-bromo-4-pyridinyl)amino]-2-methylpropan-1-ol (PubChem CID 104777110) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 3-[(3-bromo-4-pyridinyl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(3-bromo-4-pyridinyl)amino]-2-methylpropan-1-ol
PubChem CID104777110
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name3-[(3-bromo-4-pyridinyl)amino]-2-methylpropan-1-ol
SMILESCC(CO)CNc1ccncc1Br
InChIInChI=1S/C9H13BrN2O/c1-7(6-13)4-12-9-2-3-11-5-8(9)10/h2-3,5,7,13H,4,6H2,1H3,(H,11,12)
InChIKeyOXOXCXOKDKHNSW-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

3-amino-4-[(3-bromo-4-pyridinyl)amino]butan-2-ol
CID 104777519
1-N-(3-bromo-4-pyridinyl)-4-methylpentane-1,2-diamine
CID 107159318
3-[(3-bromo-4-pyridinyl)amino]propan-1-ol
CID 104776769
3-[(3-bromo-4-pyridinyl)amino]butan-1-ol
CID 104777212
3-(4-bromo-2,3-dichloroanilino)-2-methylpropan-1-ol
CID 104589244
3-(2-bromo-5-methoxyanilino)-2-methylpropan-1-ol
CID 115872019
3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol
CID 115657175
5-bromo-4-[(3-hydroxy-2-methylpropyl)amino]-1H-pyridazin-6-one
CID 114386142
N'-(3-bromo-4-pyridinyl)propane-1,3-diamine
CID 104776647
3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine
CID 104779520
[1-[[(3-bromo-4-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 104777217
N-[2-[(3-bromo-4-pyridinyl)amino]ethyl]methanesulfonamide
CID 104776803

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-pyridinyl)amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[(3-bromo-4-pyridinyl)amino]-2-methylpropan-1-ol (CID 104777110) is 3-[(3-bromo-4-pyridinyl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(3-bromo-4-pyridinyl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(3-bromo-4-pyridinyl)amino]-2-methylpropan-1-ol is CC(CO)CNc1ccncc1Br.
What is the InChIKey of 3-[(3-bromo-4-pyridinyl)amino]-2-methylpropan-1-ol?
The InChIKey is OXOXCXOKDKHNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-7(6-13)4-12-9-2-3-11-5-8(9)10/h2-3,5,7,13H,4,6H2,1H3,(H,11,12).
What are the key properties of 3-[(3-bromo-4-pyridinyl)amino]-2-methylpropan-1-ol?
3-[(3-bromo-4-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-[(3-bromo-4-pyridinyl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 104777110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).