(1R)-1-(5-bromo-4-methyl-2-pyridinyl)propan-1-ol

C9H12BrNO — CID 166123718

IUPAC(1R)-1-(5-bromo-4-methyl-2-pyridinyl)propan-1-ol
SMILESCC[C@@H](O)c1cc(C)c(Br)cn1
InChIInChI=1S/C9H12BrNO/c1-3-9(12)8-4-6(2)7(10)5-11-8/h4-5,9,12H,3H2,1-2H3/t9-/m1/s1
InChIKeyBKWJNUFGDVKFCB-SECBINFHSA-N
MW230.10 g/mol
LogP2.60
Rot. Bonds2

About (1R)-1-(5-bromo-4-methyl-2-pyridinyl)propan-1-ol

(1R)-1-(5-bromo-4-methyl-2-pyridinyl)propan-1-ol (PubChem CID 166123718) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is (1R)-1-(5-bromo-4-methyl-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name(1R)-1-(5-bromo-4-methyl-2-pyridinyl)propan-1-ol
PubChem CID166123718
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name(1R)-1-(5-bromo-4-methyl-2-pyridinyl)propan-1-ol
SMILESCC[C@@H](O)c1cc(C)c(Br)cn1
InChIInChI=1S/C9H12BrNO/c1-3-9(12)8-4-6(2)7(10)5-11-8/h4-5,9,12H,3H2,1-2H3/t9-/m1/s1
InChIKeyBKWJNUFGDVKFCB-SECBINFHSA-N
XLogP2.60
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-4-methyl-2-pyridinyl)propan-1-ol?
The IUPAC name of (1R)-1-(5-bromo-4-methyl-2-pyridinyl)propan-1-ol (CID 166123718) is (1R)-1-(5-bromo-4-methyl-2-pyridinyl)propan-1-ol.
What is the SMILES notation for (1R)-1-(5-bromo-4-methyl-2-pyridinyl)propan-1-ol?
The canonical SMILES for (1R)-1-(5-bromo-4-methyl-2-pyridinyl)propan-1-ol is CC[C@@H](O)c1cc(C)c(Br)cn1.
What is the InChIKey of (1R)-1-(5-bromo-4-methyl-2-pyridinyl)propan-1-ol?
The InChIKey is BKWJNUFGDVKFCB-SECBINFHSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-3-9(12)8-4-6(2)7(10)5-11-8/h4-5,9,12H,3H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(5-bromo-4-methyl-2-pyridinyl)propan-1-ol?
(1R)-1-(5-bromo-4-methyl-2-pyridinyl)propan-1-ol has a molecular weight of 230.10 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-4-methyl-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 166123718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).