(5-bromo-3-pyridinyl)-cyclopropylmethanol;3,5-dibromopyridine

C14H13Br3N2O — CID 160748574

IUPAC(5-bromo-3-pyridinyl)-cyclopropylmethanol;3,5-dibromopyridine
SMILESBrc1cncc(Br)c1.OC(c1cncc(Br)c1)C1CC1
InChIInChI=1S/C9H10BrNO.C5H3Br2N/c10-8-3-7(4-11-5-8)9(12)6-1-2-6;6-4-1-5(7)3-8-2-4/h3-6,9,12H,1-2H2;1-3H
InChIKeyRWMZEOJPLLZCDT-UHFFFAOYSA-N
MW464.98 g/mol
LogP4.89
Rot. Bonds2

About (5-bromo-3-pyridinyl)-cyclopropylmethanol;3,5-dibromopyridine

(5-bromo-3-pyridinyl)-cyclopropylmethanol;3,5-dibromopyridine (PubChem CID 160748574) has the molecular formula C14H13Br3N2O and a molecular weight of 464.98 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-cyclopropylmethanol;3,5-dibromopyridine.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-cyclopropylmethanol;3,5-dibromopyridine
PubChem CID160748574
Molecular FormulaC14H13Br3N2O
Molecular Weight464.98 g/mol
Exact Mass461.86
IUPAC Name(5-bromo-3-pyridinyl)-cyclopropylmethanol;3,5-dibromopyridine
SMILESBrc1cncc(Br)c1.OC(c1cncc(Br)c1)C1CC1
InChIInChI=1S/C9H10BrNO.C5H3Br2N/c10-8-3-7(4-11-5-8)9(12)6-1-2-6;6-4-1-5(7)3-8-2-4/h3-6,9,12H,1-2H2;1-3H
InChIKeyRWMZEOJPLLZCDT-UHFFFAOYSA-N
XLogP4.89
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.98
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-3-pyridinyl)-cyclopropylmethanol
CID 59825022
(1S)-1-(5-bromo-3-pyridinyl)ethanol
CID 68671332
(R)-(5-bromo-3-pyridinyl)-piperidin-4-ylmethanamine
CID 171314087
(3,5-dibromophenyl)-(oxan-4-yl)methanol
CID 107978364
2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 104800225
(1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
CID 171198670
(1R)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethanol
CID 86335057
(1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol
CID 96804187
3-(5-bromo-3-pyridinyl)-3-hydroxypropanal
CID 114795397
2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol
CID 104800221
1-(5-bromo-3-pyridinyl)-3-ethylpentan-1-ol
CID 82919855
(1R)-1-(5-bromo-3-pyridinyl)-2-(ethylamino)ethanol
CID 99598967

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-cyclopropylmethanol;3,5-dibromopyridine?
The IUPAC name of (5-bromo-3-pyridinyl)-cyclopropylmethanol;3,5-dibromopyridine (CID 160748574) is (5-bromo-3-pyridinyl)-cyclopropylmethanol;3,5-dibromopyridine.
What is the SMILES notation for (5-bromo-3-pyridinyl)-cyclopropylmethanol;3,5-dibromopyridine?
The canonical SMILES for (5-bromo-3-pyridinyl)-cyclopropylmethanol;3,5-dibromopyridine is Brc1cncc(Br)c1.OC(c1cncc(Br)c1)C1CC1.
What is the InChIKey of (5-bromo-3-pyridinyl)-cyclopropylmethanol;3,5-dibromopyridine?
The InChIKey is RWMZEOJPLLZCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO.C5H3Br2N/c10-8-3-7(4-11-5-8)9(12)6-1-2-6;6-4-1-5(7)3-8-2-4/h3-6,9,12H,1-2H2;1-3H.
What are the key properties of (5-bromo-3-pyridinyl)-cyclopropylmethanol;3,5-dibromopyridine?
(5-bromo-3-pyridinyl)-cyclopropylmethanol;3,5-dibromopyridine has a molecular weight of 464.98 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-cyclopropylmethanol;3,5-dibromopyridine is sourced from PubChem (CID 160748574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).