2-(4-cyano-3-fluorophenyl)-6-iodo-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile

C21H11FIN5 — CID 169103121

IUPAC2-(4-cyano-3-fluorophenyl)-6-iodo-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile
SMILESCn1ncc2cc(-c3c(C#N)cc(I)nc3-c3ccc(C#N)c(F)c3)ccc21
InChIInChI=1S/C21H11FIN5/c1-28-18-5-4-12(6-16(18)11-26-28)20-15(10-25)8-19(23)27-21(20)13-2-3-14(9-24)17(22)7-13/h2-8,11H,1H3
InChIKeyWWEFDCVRKBFHBW-UHFFFAOYSA-N
MW479.26 g/mol
LogP4.79
Rot. Bonds2

About 2-(4-cyano-3-fluorophenyl)-6-iodo-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile

2-(4-cyano-3-fluorophenyl)-6-iodo-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile (PubChem CID 169103121) has the molecular formula C21H11FIN5 and a molecular weight of 479.26 g/mol. Its IUPAC name is 2-(4-cyano-3-fluorophenyl)-6-iodo-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-cyano-3-fluorophenyl)-6-iodo-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile
PubChem CID169103121
Molecular FormulaC21H11FIN5
Molecular Weight479.26 g/mol
Exact Mass479.00
IUPAC Name2-(4-cyano-3-fluorophenyl)-6-iodo-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile
SMILESCn1ncc2cc(-c3c(C#N)cc(I)nc3-c3ccc(C#N)c(F)c3)ccc21
InChIInChI=1S/C21H11FIN5/c1-28-18-5-4-12(6-16(18)11-26-28)20-15(10-25)8-19(23)27-21(20)13-2-3-14(9-24)17(22)7-13/h2-8,11H,1H3
InChIKeyWWEFDCVRKBFHBW-UHFFFAOYSA-N
XLogP4.79
TPSA78.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.26
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyano-3-fluorophenyl)-6-(1,4-diazepan-1-yl)-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile
CID 170121277
nitroso 6-amino-2-(4-cyano-3-fluorophenyl)-3-(1-methylindazol-5-yl)pyridine-4-carboxylate
CID 175516395
4-[1-[3-(dimethylamino)propyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]-2-fluorobenzonitrile
CID 142474955
2-fluoro-4-[1-methyl-5-(1-methylindazol-6-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 170387902
6-amino-2-chloro-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile
CID 169103085
tert-butyl N-[1-[4-carbamoyl-6-(4-cyano-3-fluorophenyl)-5-(1-methylindazol-5-yl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 170121006
2-fluoro-4-[5-(1-methylindazol-5-yl)-1-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 146564944
2-fluoro-4-[5-(1-methylindazol-5-yl)-1-[(1-propylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
CID 163709627
4-[5-ethoxy-4-(1-methylindazol-5-yl)-1-(piperidin-3-ylmethyl)pyrazol-3-yl]-2-fluorobenzonitrile
CID 169102660
[4-[3-(4-cyano-3-fluorophenyl)-5-ethoxy-4-(1-methylindazol-5-yl)pyrazol-1-yl]cyclohexyl] carbamate
CID 175478886
2-(3-fluoro-4-isocyanophenyl)-3-(3-fluoro-4-methoxyphenyl)-6-iodopyridine-4-carbonitrile
CID 176754512
1-methylindazole-5-carbonitrile
CID 10583041

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-3-fluorophenyl)-6-iodo-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-(4-cyano-3-fluorophenyl)-6-iodo-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile (CID 169103121) is 2-(4-cyano-3-fluorophenyl)-6-iodo-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(4-cyano-3-fluorophenyl)-6-iodo-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(4-cyano-3-fluorophenyl)-6-iodo-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile is Cn1ncc2cc(-c3c(C#N)cc(I)nc3-c3ccc(C#N)c(F)c3)ccc21.
What is the InChIKey of 2-(4-cyano-3-fluorophenyl)-6-iodo-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile?
The InChIKey is WWEFDCVRKBFHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11FIN5/c1-28-18-5-4-12(6-16(18)11-26-28)20-15(10-25)8-19(23)27-21(20)13-2-3-14(9-24)17(22)7-13/h2-8,11H,1H3.
What are the key properties of 2-(4-cyano-3-fluorophenyl)-6-iodo-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile?
2-(4-cyano-3-fluorophenyl)-6-iodo-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile has a molecular weight of 479.26 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-3-fluorophenyl)-6-iodo-3-(1-methylindazol-5-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 169103121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).