2-(4-cyanopyrazol-1-yl)pyridine-4-carboxylic acid

C10H6N4O2 — CID 84783334

IUPAC2-(4-cyanopyrazol-1-yl)pyridine-4-carboxylic acid
SMILESN#Cc1cnn(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C10H6N4O2/c11-4-7-5-13-14(6-7)9-3-8(10(15)16)1-2-12-9/h1-3,5-6H,(H,15,16)
InChIKeyTXEIIQPXINMAMB-UHFFFAOYSA-N
MW214.18 g/mol
LogP0.84
Rot. Bonds2

About 2-(4-cyanopyrazol-1-yl)pyridine-4-carboxylic acid

2-(4-cyanopyrazol-1-yl)pyridine-4-carboxylic acid (PubChem CID 84783334) has the molecular formula C10H6N4O2 and a molecular weight of 214.18 g/mol. Its IUPAC name is 2-(4-cyanopyrazol-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-cyanopyrazol-1-yl)pyridine-4-carboxylic acid
PubChem CID84783334
Molecular FormulaC10H6N4O2
Molecular Weight214.18 g/mol
Exact Mass214.05
IUPAC Name2-(4-cyanopyrazol-1-yl)pyridine-4-carboxylic acid
SMILESN#Cc1cnn(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C10H6N4O2/c11-4-7-5-13-14(6-7)9-3-8(10(15)16)1-2-12-9/h1-3,5-6H,(H,15,16)
InChIKeyTXEIIQPXINMAMB-UHFFFAOYSA-N
XLogP0.84
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyano-4-methoxypyrrol-1-yl)pyridine-4-carboxylic acid
CID 59477651
1-(2-methylpyrimidin-4-yl)pyrazole-4-carboxylic acid
CID 62770775
1-(3-cyanophenyl)pyrazole-4-carboxylic acid
CID 43542927
2-[3-cyano-4-(4-methoxyphenyl)pyrrol-1-yl]pyridine-4-carboxylic acid
CID 59477938
1-[4-cyano-5-(2,5-difluorophenyl)-2-pyridinyl]pyrazole-4-carboxylic acid
CID 86300156
1-(1,10-phenanthrolin-2-yl)pyrazole-4-carbonitrile
CID 70653467
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
2-[4-(2-aminophenyl)pyrazol-1-yl]pyridine-4-carbonitrile
CID 63338477
2-[(3-cyanophenyl)methylsulfanyl]pyridine-4-carboxylic acid
CID 61300468
1-[4-cyano-5-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]pyrazole-4-carboxylic acid
CID 86298765
2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridine-4-carboxylic acid
CID 83832434
ethyl 4-(4-cyanopyrazol-1-yl)benzoate
CID 174605681

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanopyrazol-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-cyanopyrazol-1-yl)pyridine-4-carboxylic acid (CID 84783334) is 2-(4-cyanopyrazol-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-cyanopyrazol-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-cyanopyrazol-1-yl)pyridine-4-carboxylic acid is N#Cc1cnn(-c2cc(C(=O)O)ccn2)c1.
What is the InChIKey of 2-(4-cyanopyrazol-1-yl)pyridine-4-carboxylic acid?
The InChIKey is TXEIIQPXINMAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O2/c11-4-7-5-13-14(6-7)9-3-8(10(15)16)1-2-12-9/h1-3,5-6H,(H,15,16).
What are the key properties of 2-(4-cyanopyrazol-1-yl)pyridine-4-carboxylic acid?
2-(4-cyanopyrazol-1-yl)pyridine-4-carboxylic acid has a molecular weight of 214.18 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanopyrazol-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 84783334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).