2-bromo-5-(4-methylpyrazol-1-yl)pyridine-4-carboxylic acid

C10H8BrN3O2 — CID 170730871

IUPAC2-bromo-5-(4-methylpyrazol-1-yl)pyridine-4-carboxylic acid
SMILESCc1cnn(-c2cnc(Br)cc2C(=O)O)c1
InChIInChI=1S/C10H8BrN3O2/c1-6-3-13-14(5-6)8-4-12-9(11)2-7(8)10(15)16/h2-5H,1H3,(H,15,16)
InChIKeyMIISWIQSBIKTFD-UHFFFAOYSA-N
MW282.10 g/mol
LogP2.04
Rot. Bonds2

About 2-bromo-5-(4-methylpyrazol-1-yl)pyridine-4-carboxylic acid

2-bromo-5-(4-methylpyrazol-1-yl)pyridine-4-carboxylic acid (PubChem CID 170730871) has the molecular formula C10H8BrN3O2 and a molecular weight of 282.10 g/mol. Its IUPAC name is 2-bromo-5-(4-methylpyrazol-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-bromo-5-(4-methylpyrazol-1-yl)pyridine-4-carboxylic acid
PubChem CID170730871
Molecular FormulaC10H8BrN3O2
Molecular Weight282.10 g/mol
Exact Mass280.98
IUPAC Name2-bromo-5-(4-methylpyrazol-1-yl)pyridine-4-carboxylic acid
SMILESCc1cnn(-c2cnc(Br)cc2C(=O)O)c1
InChIInChI=1S/C10H8BrN3O2/c1-6-3-13-14(5-6)8-4-12-9(11)2-7(8)10(15)16/h2-5H,1H3,(H,15,16)
InChIKeyMIISWIQSBIKTFD-UHFFFAOYSA-N
XLogP2.04
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 52.04
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 2-bromo-5-(4-methylpyrazol-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-bromo-5-(4-methylpyrazol-1-yl)pyridine-4-carboxylic acid (CID 170730871) is 2-bromo-5-(4-methylpyrazol-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-bromo-5-(4-methylpyrazol-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-bromo-5-(4-methylpyrazol-1-yl)pyridine-4-carboxylic acid is Cc1cnn(-c2cnc(Br)cc2C(=O)O)c1.
What is the InChIKey of 2-bromo-5-(4-methylpyrazol-1-yl)pyridine-4-carboxylic acid?
The InChIKey is MIISWIQSBIKTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2/c1-6-3-13-14(5-6)8-4-12-9(11)2-7(8)10(15)16/h2-5H,1H3,(H,15,16).
What are the key properties of 2-bromo-5-(4-methylpyrazol-1-yl)pyridine-4-carboxylic acid?
2-bromo-5-(4-methylpyrazol-1-yl)pyridine-4-carboxylic acid has a molecular weight of 282.10 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-methylpyrazol-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 170730871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).