1-(5-bromo-3-chloro-2-pyridinyl)pyrazole-4-carboxylic acid

C9H5BrClN3O2 — CID 103583920

IUPAC1-(5-bromo-3-chloro-2-pyridinyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ncc(Br)cc2Cl)c1
InChIInChI=1S/C9H5BrClN3O2/c10-6-1-7(11)8(12-3-6)14-4-5(2-13-14)9(15)16/h1-4H,(H,15,16)
InChIKeyZVFDAPMPEPLTSK-UHFFFAOYSA-N
MW302.52 g/mol
LogP2.38
Rot. Bonds2

About 1-(5-bromo-3-chloro-2-pyridinyl)pyrazole-4-carboxylic acid

1-(5-bromo-3-chloro-2-pyridinyl)pyrazole-4-carboxylic acid (PubChem CID 103583920) has the molecular formula C9H5BrClN3O2 and a molecular weight of 302.52 g/mol. Its IUPAC name is 1-(5-bromo-3-chloro-2-pyridinyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-bromo-3-chloro-2-pyridinyl)pyrazole-4-carboxylic acid
PubChem CID103583920
Molecular FormulaC9H5BrClN3O2
Molecular Weight302.52 g/mol
Exact Mass300.93
IUPAC Name1-(5-bromo-3-chloro-2-pyridinyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ncc(Br)cc2Cl)c1
InChIInChI=1S/C9H5BrClN3O2/c10-6-1-7(11)8(12-3-6)14-4-5(2-13-14)9(15)16/h1-4H,(H,15,16)
InChIKeyZVFDAPMPEPLTSK-UHFFFAOYSA-N
XLogP2.38
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.52
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-chloro-2-pyridinyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(5-bromo-3-chloro-2-pyridinyl)pyrazole-4-carboxylic acid (CID 103583920) is 1-(5-bromo-3-chloro-2-pyridinyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(5-bromo-3-chloro-2-pyridinyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(5-bromo-3-chloro-2-pyridinyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ncc(Br)cc2Cl)c1.
What is the InChIKey of 1-(5-bromo-3-chloro-2-pyridinyl)pyrazole-4-carboxylic acid?
The InChIKey is ZVFDAPMPEPLTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClN3O2/c10-6-1-7(11)8(12-3-6)14-4-5(2-13-14)9(15)16/h1-4H,(H,15,16).
What are the key properties of 1-(5-bromo-3-chloro-2-pyridinyl)pyrazole-4-carboxylic acid?
1-(5-bromo-3-chloro-2-pyridinyl)pyrazole-4-carboxylic acid has a molecular weight of 302.52 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-chloro-2-pyridinyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 103583920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).