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

C9H13BrN2O — CID 104777212

IUPAC3-[(3-bromo-4-pyridinyl)amino]butan-1-ol
SMILESCC(CCO)Nc1ccncc1Br
InChIInChI=1S/C9H13BrN2O/c1-7(3-5-13)12-9-2-4-11-6-8(9)10/h2,4,6-7,13H,3,5H2,1H3,(H,11,12)
InChIKeyNLJMOSSVEYKSPC-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.03
Rot. Bonds4

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

3-[(3-bromo-4-pyridinyl)amino]butan-1-ol (PubChem CID 104777212) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 3-[(3-bromo-4-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(3-bromo-4-pyridinyl)amino]butan-1-ol
PubChem CID104777212
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name3-[(3-bromo-4-pyridinyl)amino]butan-1-ol
SMILESCC(CCO)Nc1ccncc1Br
InChIInChI=1S/C9H13BrN2O/c1-7(3-5-13)12-9-2-4-11-6-8(9)10/h2,4,6-7,13H,3,5H2,1H3,(H,11,12)
InChIKeyNLJMOSSVEYKSPC-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-heptan-2-ylpyridin-4-amine
CID 104776911
3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine
CID 104779520
3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 83187293
3-[(3-bromo-4-pyridinyl)amino]-2-methylpropan-1-ol
CID 104777110
3-[(5-bromopyrimidin-4-yl)amino]butan-1-ol
CID 80712175
2-[(3-bromo-4-pyridinyl)amino]-3-methylbutanamide
CID 106345936
3-[(3-bromo-4-pyridinyl)amino]propan-1-ol
CID 104776769
(3R)-3-[(3-bromo-2-pyridinyl)amino]butan-1-ol
CID 131182775
(3R)-3-[(4-bromo-2-pyridinyl)amino]butan-1-ol
CID 130668971
2-[(3-chloro-4-pyridinyl)amino]propan-1-ol
CID 79838859
3-bromo-N-(1-cyclopentylethyl)pyridin-4-amine
CID 104777077
3-bromo-N-(4-chloro-1-methoxybutan-2-yl)pyridin-4-amine
CID 106154086

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-pyridinyl)amino]butan-1-ol?
The IUPAC name of 3-[(3-bromo-4-pyridinyl)amino]butan-1-ol (CID 104777212) is 3-[(3-bromo-4-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for 3-[(3-bromo-4-pyridinyl)amino]butan-1-ol?
The canonical SMILES for 3-[(3-bromo-4-pyridinyl)amino]butan-1-ol is CC(CCO)Nc1ccncc1Br.
What is the InChIKey of 3-[(3-bromo-4-pyridinyl)amino]butan-1-ol?
The InChIKey is NLJMOSSVEYKSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-7(3-5-13)12-9-2-4-11-6-8(9)10/h2,4,6-7,13H,3,5H2,1H3,(H,11,12).
What are the key properties of 3-[(3-bromo-4-pyridinyl)amino]butan-1-ol?
3-[(3-bromo-4-pyridinyl)amino]butan-1-ol has a molecular weight of 245.12 g/mol, XLogP of 2.03, 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]butan-1-ol is sourced from PubChem (CID 104777212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).