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

C9H13BrN2O — CID 130668971

IUPAC(3R)-3-[(4-bromo-2-pyridinyl)amino]butan-1-ol
SMILESC[C@H](CCO)Nc1cc(Br)ccn1
InChIInChI=1S/C9H13BrN2O/c1-7(3-5-13)12-9-6-8(10)2-4-11-9/h2,4,6-7,13H,3,5H2,1H3,(H,11,12)/t7-/m1/s1
InChIKeyPRCHZHYPNZQXCD-SSDOTTSWSA-N
MW245.12 g/mol
LogP2.03
Rot. Bonds4

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

(3R)-3-[(4-bromo-2-pyridinyl)amino]butan-1-ol (PubChem CID 130668971) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is (3R)-3-[(4-bromo-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(4-bromo-2-pyridinyl)amino]butan-1-ol
PubChem CID130668971
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name(3R)-3-[(4-bromo-2-pyridinyl)amino]butan-1-ol
SMILESC[C@H](CCO)Nc1cc(Br)ccn1
InChIInChI=1S/C9H13BrN2O/c1-7(3-5-13)12-9-6-8(10)2-4-11-9/h2,4,6-7,13H,3,5H2,1H3,(H,11,12)/t7-/m1/s1
InChIKeyPRCHZHYPNZQXCD-SSDOTTSWSA-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-[(4-bromo-2-pyridinyl)amino]butanamide
CID 130671461
(3R)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523223
(3S)-3-[(5-bromo-2-pyridinyl)amino]butan-1-ol
CID 124523222
3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
CID 115774135
1-[(4-bromo-2-pyridinyl)amino]ethylphosphonous acid;ethane
CID 145271542
(3R)-3-[(3-bromo-2-pyridinyl)amino]butan-1-ol
CID 131182775
3-[(6-ethylpyrimidin-4-yl)amino]butan-1-ol
CID 78997265
3-[(3-bromo-4-pyridinyl)amino]butan-1-ol
CID 104777212
3-[(6-bromo-8-chloroquinolin-2-yl)amino]butan-1-ol
CID 133436638
3-[[2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180272
4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 103736616
N-(4-chlorobutan-2-yl)-4-methylpyridin-2-amine
CID 83188560

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-bromo-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of (3R)-3-[(4-bromo-2-pyridinyl)amino]butan-1-ol (CID 130668971) is (3R)-3-[(4-bromo-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for (3R)-3-[(4-bromo-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for (3R)-3-[(4-bromo-2-pyridinyl)amino]butan-1-ol is C[C@H](CCO)Nc1cc(Br)ccn1.
What is the InChIKey of (3R)-3-[(4-bromo-2-pyridinyl)amino]butan-1-ol?
The InChIKey is PRCHZHYPNZQXCD-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-7(3-5-13)12-9-6-8(10)2-4-11-9/h2,4,6-7,13H,3,5H2,1H3,(H,11,12)/t7-/m1/s1.
What are the key properties of (3R)-3-[(4-bromo-2-pyridinyl)amino]butan-1-ol?
(3R)-3-[(4-bromo-2-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 (3R)-3-[(4-bromo-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 130668971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).