(5-bromo-4-propan-2-yloxy-3-pyridinyl)methanol

C9H12BrNO2 — CID 164895693

IUPAC(5-bromo-4-propan-2-yloxy-3-pyridinyl)methanol
SMILESCC(C)Oc1c(Br)cncc1CO
InChIInChI=1S/C9H12BrNO2/c1-6(2)13-9-7(5-12)3-11-4-8(9)10/h3-4,6,12H,5H2,1-2H3
InChIKeyCKTLORRULJGDAL-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.12
Rot. Bonds3

About (5-bromo-4-propan-2-yloxy-3-pyridinyl)methanol

(5-bromo-4-propan-2-yloxy-3-pyridinyl)methanol (PubChem CID 164895693) has the molecular formula C9H12BrNO2 and a molecular weight of 246.10 g/mol. Its IUPAC name is (5-bromo-4-propan-2-yloxy-3-pyridinyl)methanol.

Molecular Properties

Compound Name(5-bromo-4-propan-2-yloxy-3-pyridinyl)methanol
PubChem CID164895693
Molecular FormulaC9H12BrNO2
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name(5-bromo-4-propan-2-yloxy-3-pyridinyl)methanol
SMILESCC(C)Oc1c(Br)cncc1CO
InChIInChI=1S/C9H12BrNO2/c1-6(2)13-9-7(5-12)3-11-4-8(9)10/h3-4,6,12H,5H2,1-2H3
InChIKeyCKTLORRULJGDAL-UHFFFAOYSA-N
XLogP2.12
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-propan-2-yloxy-3-pyridinyl)methanol?
The IUPAC name of (5-bromo-4-propan-2-yloxy-3-pyridinyl)methanol (CID 164895693) is (5-bromo-4-propan-2-yloxy-3-pyridinyl)methanol.
What is the SMILES notation for (5-bromo-4-propan-2-yloxy-3-pyridinyl)methanol?
The canonical SMILES for (5-bromo-4-propan-2-yloxy-3-pyridinyl)methanol is CC(C)Oc1c(Br)cncc1CO.
What is the InChIKey of (5-bromo-4-propan-2-yloxy-3-pyridinyl)methanol?
The InChIKey is CKTLORRULJGDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2/c1-6(2)13-9-7(5-12)3-11-4-8(9)10/h3-4,6,12H,5H2,1-2H3.
What are the key properties of (5-bromo-4-propan-2-yloxy-3-pyridinyl)methanol?
(5-bromo-4-propan-2-yloxy-3-pyridinyl)methanol has a molecular weight of 246.10 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-propan-2-yloxy-3-pyridinyl)methanol is sourced from PubChem (CID 164895693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).