3-(2-chloro-5-cyanophenyl)-1-(5-fluoro-2-pyridinyl)indazole-6-carboxylic acid

C20H10ClFN4O2 — CID 134522738

IUPAC3-(2-chloro-5-cyanophenyl)-1-(5-fluoro-2-pyridinyl)indazole-6-carboxylic acid
SMILESN#Cc1ccc(Cl)c(-c2nn(-c3ccc(F)cn3)c3cc(C(=O)O)ccc23)c1
InChIInChI=1S/C20H10ClFN4O2/c21-16-5-1-11(9-23)7-15(16)19-14-4-2-12(20(27)28)8-17(14)26(25-19)18-6-3-13(22)10-24-18/h1-8,10H,(H,27,28)
InChIKeySUKVFTQWUOMKNV-UHFFFAOYSA-N
MW392.78 g/mol
LogP4.45
Rot. Bonds3

About 3-(2-chloro-5-cyanophenyl)-1-(5-fluoro-2-pyridinyl)indazole-6-carboxylic acid

3-(2-chloro-5-cyanophenyl)-1-(5-fluoro-2-pyridinyl)indazole-6-carboxylic acid (PubChem CID 134522738) has the molecular formula C20H10ClFN4O2 and a molecular weight of 392.78 g/mol. Its IUPAC name is 3-(2-chloro-5-cyanophenyl)-1-(5-fluoro-2-pyridinyl)indazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(2-chloro-5-cyanophenyl)-1-(5-fluoro-2-pyridinyl)indazole-6-carboxylic acid
PubChem CID134522738
Molecular FormulaC20H10ClFN4O2
Molecular Weight392.78 g/mol
Exact Mass392.05
IUPAC Name3-(2-chloro-5-cyanophenyl)-1-(5-fluoro-2-pyridinyl)indazole-6-carboxylic acid
SMILESN#Cc1ccc(Cl)c(-c2nn(-c3ccc(F)cn3)c3cc(C(=O)O)ccc23)c1
InChIInChI=1S/C20H10ClFN4O2/c21-16-5-1-11(9-23)7-15(16)19-14-4-2-12(20(27)28)8-17(14)26(25-19)18-6-3-13(22)10-24-18/h1-8,10H,(H,27,28)
InChIKeySUKVFTQWUOMKNV-UHFFFAOYSA-N
XLogP4.45
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.78
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chloro-5-cyanophenyl)-N-(1,1-dioxothiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide
CID 134522656
3-(2-chlorophenyl)-N-(1-cyanocyclopropyl)-1-(4-fluorophenyl)indazole-6-carboxamide
CID 134522594
1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-hydroxyethanone
CID 153447161
3-(2-chloro-4-cyanophenyl)benzotriazole-5-carboxylic acid
CID 107808810
6-[4-(2-chloro-4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-3-carboxylic acid
CID 163758952
3-(4-cyano-2-fluorophenyl)benzotriazole-5-carboxylic acid
CID 82769135
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(oxetan-3-yl)indazole-6-carboxamide
CID 134522059
4-chloro-3-[2-(4-fluorophenyl)ethynyl]benzoic acid
CID 138985738
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[(1S,2R)-2-hydroxycyclopentyl]indazole-6-carboxamide
CID 146220196
3-(2-chlorophenyl)-N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(5-methyl-2-pyridinyl)indazole-6-carboxamide
CID 134522532
4-chloro-3-(2,4-difluorophenyl)benzonitrile
CID 172914923
4-chloro-3-[1-(4-fluorophenyl)-6-[2-(3-methyl-1,1-dioxothiolan-3-yl)acetyl]indazol-3-yl]benzamide
CID 159628974

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-cyanophenyl)-1-(5-fluoro-2-pyridinyl)indazole-6-carboxylic acid?
The IUPAC name of 3-(2-chloro-5-cyanophenyl)-1-(5-fluoro-2-pyridinyl)indazole-6-carboxylic acid (CID 134522738) is 3-(2-chloro-5-cyanophenyl)-1-(5-fluoro-2-pyridinyl)indazole-6-carboxylic acid.
What is the SMILES notation for 3-(2-chloro-5-cyanophenyl)-1-(5-fluoro-2-pyridinyl)indazole-6-carboxylic acid?
The canonical SMILES for 3-(2-chloro-5-cyanophenyl)-1-(5-fluoro-2-pyridinyl)indazole-6-carboxylic acid is N#Cc1ccc(Cl)c(-c2nn(-c3ccc(F)cn3)c3cc(C(=O)O)ccc23)c1.
What is the InChIKey of 3-(2-chloro-5-cyanophenyl)-1-(5-fluoro-2-pyridinyl)indazole-6-carboxylic acid?
The InChIKey is SUKVFTQWUOMKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10ClFN4O2/c21-16-5-1-11(9-23)7-15(16)19-14-4-2-12(20(27)28)8-17(14)26(25-19)18-6-3-13(22)10-24-18/h1-8,10H,(H,27,28).
What are the key properties of 3-(2-chloro-5-cyanophenyl)-1-(5-fluoro-2-pyridinyl)indazole-6-carboxylic acid?
3-(2-chloro-5-cyanophenyl)-1-(5-fluoro-2-pyridinyl)indazole-6-carboxylic acid has a molecular weight of 392.78 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-cyanophenyl)-1-(5-fluoro-2-pyridinyl)indazole-6-carboxylic acid is sourced from PubChem (CID 134522738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).