2-[5-(4-bromophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid

C15H10BrN3O2 — CID 86725517

IUPAC2-[5-(4-bromophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2-c2ccc(Br)cc2)c1
InChIInChI=1S/C15H10BrN3O2/c16-12-3-1-10(2-4-12)13-6-8-18-19(13)14-9-11(15(20)21)5-7-17-14/h1-9H,(H,20,21)
InChIKeyMITOFELVTHNBGA-UHFFFAOYSA-N
MW344.17 g/mol
LogP3.39
Rot. Bonds3

About 2-[5-(4-bromophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid

2-[5-(4-bromophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 86725517) has the molecular formula C15H10BrN3O2 and a molecular weight of 344.17 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID86725517
Molecular FormulaC15H10BrN3O2
Molecular Weight344.17 g/mol
Exact Mass343.00
IUPAC Name2-[5-(4-bromophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2-c2ccc(Br)cc2)c1
InChIInChI=1S/C15H10BrN3O2/c16-12-3-1-10(2-4-12)13-6-8-18-19(13)14-9-11(15(20)21)5-7-17-14/h1-9H,(H,20,21)
InChIKeyMITOFELVTHNBGA-UHFFFAOYSA-N
XLogP3.39
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-p-tolyl-1H-pyrazol-1-yl)isonicotinic acid
CID 76901247
2-[5-(3-hydroxyphenyl)-1H-pyrazol-1-yl]pyridine-4-carboxylic acid
CID 76901620
7-(4-Fluorophenyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4775471
2-(5-(2,4-difluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901615
2-(5-(3-fluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901616
2-(5-phenyl-1H-pyrazol-1-yl)isonicotinic acid
CID 86725498
2-{5-[(4-bromobenzyl)oxy]-1H-pyrazol-1-yl}pyridine-4-carboxylic acid
CID 90204921
2-(5-(3,4-difluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 90205111
2-(5-(4-fluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 90205512
2-(5-(4-hydroxyphenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 136258480
6-(4-Bromophenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600248
6-[4-(4-Bromophenyl)phenyl]-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600806

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-(4-bromophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid (CID 86725517) is 2-[5-(4-bromophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(4-bromophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-(4-bromophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-n2nccc2-c2ccc(Br)cc2)c1.
What is the InChIKey of 2-[5-(4-bromophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is MITOFELVTHNBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O2/c16-12-3-1-10(2-4-12)13-6-8-18-19(13)14-9-11(15(20)21)5-7-17-14/h1-9H,(H,20,21).
What are the key properties of 2-[5-(4-bromophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-(4-bromophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 344.17 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 86725517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).