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

C10H15BrN2O — CID 106876006

IUPAC4-[(3-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
SMILESCc1ccnc(NCCCCO)c1Br
InChIInChI=1S/C10H15BrN2O/c1-8-4-6-13-10(9(8)11)12-5-2-3-7-14/h4,6,14H,2-3,5,7H2,1H3,(H,12,13)
InChIKeyCWZHABRHEWNVOQ-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.34
Rot. Bonds5

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

4-[(3-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol (PubChem CID 106876006) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 4-[(3-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(3-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
PubChem CID106876006
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name4-[(3-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
SMILESCc1ccnc(NCCCCO)c1Br
InChIInChI=1S/C10H15BrN2O/c1-8-4-6-13-10(9(8)11)12-5-2-3-7-14/h4,6,14H,2-3,5,7H2,1H3,(H,12,13)
InChIKeyCWZHABRHEWNVOQ-UHFFFAOYSA-N
XLogP2.34
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of 4-[(3-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol (CID 106876006) is 4-[(3-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for 4-[(3-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for 4-[(3-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol is Cc1ccnc(NCCCCO)c1Br.
What is the InChIKey of 4-[(3-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol?
The InChIKey is CWZHABRHEWNVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-8-4-6-13-10(9(8)11)12-5-2-3-7-14/h4,6,14H,2-3,5,7H2,1H3,(H,12,13).
What are the key properties of 4-[(3-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol?
4-[(3-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol has a molecular weight of 259.15 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 106876006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).