(5-bromo-1-ethylpyrazol-4-yl)-(2-bromo-3-pyridinyl)methanol

C11H11Br2N3O — CID 164719290

IUPAC(5-bromo-1-ethylpyrazol-4-yl)-(2-bromo-3-pyridinyl)methanol
SMILESCCn1ncc(C(O)c2cccnc2Br)c1Br
InChIInChI=1S/C11H11Br2N3O/c1-2-16-11(13)8(6-15-16)9(17)7-4-3-5-14-10(7)12/h3-6,9,17H,2H2,1H3
InChIKeyFXTPMJVBXNMWIR-UHFFFAOYSA-N
MW361.04 g/mol
LogP2.90
Rot. Bonds3

About (5-bromo-1-ethylpyrazol-4-yl)-(2-bromo-3-pyridinyl)methanol

(5-bromo-1-ethylpyrazol-4-yl)-(2-bromo-3-pyridinyl)methanol (PubChem CID 164719290) has the molecular formula C11H11Br2N3O and a molecular weight of 361.04 g/mol. Its IUPAC name is (5-bromo-1-ethylpyrazol-4-yl)-(2-bromo-3-pyridinyl)methanol.

Molecular Properties

Compound Name(5-bromo-1-ethylpyrazol-4-yl)-(2-bromo-3-pyridinyl)methanol
PubChem CID164719290
Molecular FormulaC11H11Br2N3O
Molecular Weight361.04 g/mol
Exact Mass358.93
IUPAC Name(5-bromo-1-ethylpyrazol-4-yl)-(2-bromo-3-pyridinyl)methanol
SMILESCCn1ncc(C(O)c2cccnc2Br)c1Br
InChIInChI=1S/C11H11Br2N3O/c1-2-16-11(13)8(6-15-16)9(17)7-4-3-5-14-10(7)12/h3-6,9,17H,2H2,1H3
InChIKeyFXTPMJVBXNMWIR-UHFFFAOYSA-N
XLogP2.90
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.04
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-ethylpyrazol-4-yl)-(2-bromo-3-pyridinyl)methanol?
The IUPAC name of (5-bromo-1-ethylpyrazol-4-yl)-(2-bromo-3-pyridinyl)methanol (CID 164719290) is (5-bromo-1-ethylpyrazol-4-yl)-(2-bromo-3-pyridinyl)methanol.
What is the SMILES notation for (5-bromo-1-ethylpyrazol-4-yl)-(2-bromo-3-pyridinyl)methanol?
The canonical SMILES for (5-bromo-1-ethylpyrazol-4-yl)-(2-bromo-3-pyridinyl)methanol is CCn1ncc(C(O)c2cccnc2Br)c1Br.
What is the InChIKey of (5-bromo-1-ethylpyrazol-4-yl)-(2-bromo-3-pyridinyl)methanol?
The InChIKey is FXTPMJVBXNMWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3O/c1-2-16-11(13)8(6-15-16)9(17)7-4-3-5-14-10(7)12/h3-6,9,17H,2H2,1H3.
What are the key properties of (5-bromo-1-ethylpyrazol-4-yl)-(2-bromo-3-pyridinyl)methanol?
(5-bromo-1-ethylpyrazol-4-yl)-(2-bromo-3-pyridinyl)methanol has a molecular weight of 361.04 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-ethylpyrazol-4-yl)-(2-bromo-3-pyridinyl)methanol is sourced from PubChem (CID 164719290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).