(5-bromo-3-pyridinyl)methanol;5-pyrazol-1-ylpyridine-3-carbaldehyde;(5-pyrazol-1-yl-3-pyridinyl)methanol

C24H22BrN7O3 — CID 157360691

IUPAC(5-bromo-3-pyridinyl)methanol;5-pyrazol-1-ylpyridine-3-carbaldehyde;(5-pyrazol-1-yl-3-pyridinyl)methanol
SMILESO=Cc1cncc(-n2cccn2)c1.OCc1cncc(-n2cccn2)c1.OCc1cncc(Br)c1
InChIInChI=1S/C9H9N3O.C9H7N3O.C6H6BrNO/c2*13-7-8-4-9(6-10-5-8)12-3-1-2-11-12;7-6-1-5(4-9)2-8-3-6/h1-6,13H,7H2;1-7H;1-3,9H,4H2
InChIKeyBIPIYLGMGDHRCM-UHFFFAOYSA-N
MW536.39 g/mol
LogP3.18
Rot. Bonds5

About (5-bromo-3-pyridinyl)methanol;5-pyrazol-1-ylpyridine-3-carbaldehyde;(5-pyrazol-1-yl-3-pyridinyl)methanol

(5-bromo-3-pyridinyl)methanol;5-pyrazol-1-ylpyridine-3-carbaldehyde;(5-pyrazol-1-yl-3-pyridinyl)methanol (PubChem CID 157360691) has the molecular formula C24H22BrN7O3 and a molecular weight of 536.39 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)methanol;5-pyrazol-1-ylpyridine-3-carbaldehyde;(5-pyrazol-1-yl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)methanol;5-pyrazol-1-ylpyridine-3-carbaldehyde;(5-pyrazol-1-yl-3-pyridinyl)methanol
PubChem CID157360691
Molecular FormulaC24H22BrN7O3
Molecular Weight536.39 g/mol
Exact Mass535.10
IUPAC Name(5-bromo-3-pyridinyl)methanol;5-pyrazol-1-ylpyridine-3-carbaldehyde;(5-pyrazol-1-yl-3-pyridinyl)methanol
SMILESO=Cc1cncc(-n2cccn2)c1.OCc1cncc(-n2cccn2)c1.OCc1cncc(Br)c1
InChIInChI=1S/C9H9N3O.C9H7N3O.C6H6BrNO/c2*13-7-8-4-9(6-10-5-8)12-3-1-2-11-12;7-6-1-5(4-9)2-8-3-6/h1-6,13H,7H2;1-7H;1-3,9H,4H2
InChIKeyBIPIYLGMGDHRCM-UHFFFAOYSA-N
XLogP3.18
TPSA131.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

1-(6-Bromo-3-pyridinyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid
CID 123733750
1-(2-Bromo-4-pyridinyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid
CID 123770956
1-(5-Bromo-3-pyridinyl)pyrazolo[5,4-c]pyridine-4-carboxylic acid
CID 123874096
(5-Bromo-3-pyridinyl)methanol;5-imidazol-1-ylpyridine-3-carbaldehyde;(5-imidazol-1-yl-3-pyridinyl)methanol
CID 157073140
(5-Bromo-3-pyridinyl)methanol;5-pyrrol-1-ylpyridine-3-carbaldehyde;(5-pyrrol-1-yl-3-pyridinyl)methanol
CID 157094849
Ethyl 5-pyrazol-1-ylpyridine-3-carboxylate;5-pyrazol-1-ylpyridine-3-carboxylic acid
CID 157824705
(5-Bromo-3-pyridinyl)methanol;5-(1,2,4-triazol-1-yl)pyridine-3-carbaldehyde;[5-(1,2,4-triazol-1-yl)-3-pyridinyl]methanol
CID 159997249
(5-Bromo-3-pyridinyl)methanol;5-pyrrolidin-1-ylpyridine-3-carbaldehyde;(5-pyrrolidin-1-yl-3-pyridinyl)methanol
CID 160031049
5-Bromo-1-ethylpyrazole-4-carbaldehyde;(5-bromo-1-ethylpyrazol-4-yl)-(4-bromo-3-pyridinyl)methanol;4-bromopyridine
CID 165033585
5-Bromo-1-ethyl-4-iodopyrazole;(5-bromo-1-ethylpyrazol-4-yl)-(2-bromo-3-pyridinyl)methanol;2-bromopyridine-3-carbaldehyde
CID 165099205
(2-Bromo-3-pyridinyl)-(5-ethyl-1-methylpyrazol-3-yl)methanol;(2-bromo-3-pyridinyl)-(5-ethyl-1-methylpyrazol-3-yl)methanone;ethane
CID 171529409
5-(3-bromo-1H-pyrazol-1-yl)pyridine-3-carboxylic acid
CID 165601542

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)methanol;5-pyrazol-1-ylpyridine-3-carbaldehyde;(5-pyrazol-1-yl-3-pyridinyl)methanol?
The IUPAC name of (5-bromo-3-pyridinyl)methanol;5-pyrazol-1-ylpyridine-3-carbaldehyde;(5-pyrazol-1-yl-3-pyridinyl)methanol (CID 157360691) is (5-bromo-3-pyridinyl)methanol;5-pyrazol-1-ylpyridine-3-carbaldehyde;(5-pyrazol-1-yl-3-pyridinyl)methanol.
What is the SMILES notation for (5-bromo-3-pyridinyl)methanol;5-pyrazol-1-ylpyridine-3-carbaldehyde;(5-pyrazol-1-yl-3-pyridinyl)methanol?
The canonical SMILES for (5-bromo-3-pyridinyl)methanol;5-pyrazol-1-ylpyridine-3-carbaldehyde;(5-pyrazol-1-yl-3-pyridinyl)methanol is O=Cc1cncc(-n2cccn2)c1.OCc1cncc(-n2cccn2)c1.OCc1cncc(Br)c1.
What is the InChIKey of (5-bromo-3-pyridinyl)methanol;5-pyrazol-1-ylpyridine-3-carbaldehyde;(5-pyrazol-1-yl-3-pyridinyl)methanol?
The InChIKey is BIPIYLGMGDHRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O.C9H7N3O.C6H6BrNO/c2*13-7-8-4-9(6-10-5-8)12-3-1-2-11-12;7-6-1-5(4-9)2-8-3-6/h1-6,13H,7H2;1-7H;1-3,9H,4H2.
What are the key properties of (5-bromo-3-pyridinyl)methanol;5-pyrazol-1-ylpyridine-3-carbaldehyde;(5-pyrazol-1-yl-3-pyridinyl)methanol?
(5-bromo-3-pyridinyl)methanol;5-pyrazol-1-ylpyridine-3-carbaldehyde;(5-pyrazol-1-yl-3-pyridinyl)methanol has a molecular weight of 536.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)methanol;5-pyrazol-1-ylpyridine-3-carbaldehyde;(5-pyrazol-1-yl-3-pyridinyl)methanol is sourced from PubChem (CID 157360691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).