6-[2-(5-chloro-2-pyridinyl)-5-(5-cyano-2-pyridinyl)-3-fluoro-6-(5-fluoro-2-pyridinyl)-4-pyridinyl]pyridine-3-carbonitrile

C27H12ClF2N7 — CID 141351346

IUPAC6-[2-(5-chloro-2-pyridinyl)-5-(5-cyano-2-pyridinyl)-3-fluoro-6-(5-fluoro-2-pyridinyl)-4-pyridinyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2c(-c3ccc(F)cn3)nc(-c3ccc(Cl)cn3)c(F)c2-c2ccc(C#N)cn2)nc1
InChIInChI=1S/C27H12ClF2N7/c28-17-3-7-22(35-13-17)27-25(30)23(19-5-1-15(9-31)11-33-19)24(20-6-2-16(10-32)12-34-20)26(37-27)21-8-4-18(29)14-36-21/h1-8,11-14H
InChIKeyGOXADRMERGOJDT-UHFFFAOYSA-N
MW507.89 g/mol
LogP6.00
Rot. Bonds4

About 6-[2-(5-chloro-2-pyridinyl)-5-(5-cyano-2-pyridinyl)-3-fluoro-6-(5-fluoro-2-pyridinyl)-4-pyridinyl]pyridine-3-carbonitrile

6-[2-(5-chloro-2-pyridinyl)-5-(5-cyano-2-pyridinyl)-3-fluoro-6-(5-fluoro-2-pyridinyl)-4-pyridinyl]pyridine-3-carbonitrile (PubChem CID 141351346) has the molecular formula C27H12ClF2N7 and a molecular weight of 507.89 g/mol. Its IUPAC name is 6-[2-(5-chloro-2-pyridinyl)-5-(5-cyano-2-pyridinyl)-3-fluoro-6-(5-fluoro-2-pyridinyl)-4-pyridinyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(5-chloro-2-pyridinyl)-5-(5-cyano-2-pyridinyl)-3-fluoro-6-(5-fluoro-2-pyridinyl)-4-pyridinyl]pyridine-3-carbonitrile
PubChem CID141351346
Molecular FormulaC27H12ClF2N7
Molecular Weight507.89 g/mol
Exact Mass507.08
IUPAC Name6-[2-(5-chloro-2-pyridinyl)-5-(5-cyano-2-pyridinyl)-3-fluoro-6-(5-fluoro-2-pyridinyl)-4-pyridinyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2c(-c3ccc(F)cn3)nc(-c3ccc(Cl)cn3)c(F)c2-c2ccc(C#N)cn2)nc1
InChIInChI=1S/C27H12ClF2N7/c28-17-3-7-22(35-13-17)27-25(30)23(19-5-1-15(9-31)11-33-19)24(20-6-2-16(10-32)12-34-20)26(37-27)21-8-4-18(29)14-36-21/h1-8,11-14H
InChIKeyGOXADRMERGOJDT-UHFFFAOYSA-N
XLogP6.00
TPSA112.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.89
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[2-(5-chloro-2-pyridinyl)-5-(5-cyano-2-pyridinyl)-3-fluoro-6-(5-fluoro-2-pyridinyl)-4-pyridinyl]pyridine-3-carbonitrile with MolForge

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Related Compounds

4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
4'-(4-Chlorophenyl)-2,2':6',2''-terpyridine
CID 10871645
6-(2-Chlorophenyl)-5-(4-chlorophenyl)-2-(pyridin-3-yl)nicotinonitrile
CID 44441005
2-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2-pyridinyl)acetonitrile
CID 3692928
N,N-bis[(2-chloro-6-fluoroquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
CID 162651803
4-Chloro-2-pyridin-2-yl-6-pyridin-3-ylpyridine
CID 162644969
6',6''-Di(pyridin-2-yl)-2,2':4',4'':2'',2'''-quaterpyridine
CID 11983112
4,4':2',2'':4'',4'''-Quaterpyridine
CID 14566874
2,2':4',4'':2'',2'''-Quaterpyridine
CID 15465413
2,2':5',3'':6'',2'''-Quaterpyridine
CID 15771918
2,3,4,5-Tetrapyridin-2-ylpyridine
CID 22045955
Quaterpyridine
CID 53629820

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-chloro-2-pyridinyl)-5-(5-cyano-2-pyridinyl)-3-fluoro-6-(5-fluoro-2-pyridinyl)-4-pyridinyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(5-chloro-2-pyridinyl)-5-(5-cyano-2-pyridinyl)-3-fluoro-6-(5-fluoro-2-pyridinyl)-4-pyridinyl]pyridine-3-carbonitrile (CID 141351346) is 6-[2-(5-chloro-2-pyridinyl)-5-(5-cyano-2-pyridinyl)-3-fluoro-6-(5-fluoro-2-pyridinyl)-4-pyridinyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(5-chloro-2-pyridinyl)-5-(5-cyano-2-pyridinyl)-3-fluoro-6-(5-fluoro-2-pyridinyl)-4-pyridinyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(5-chloro-2-pyridinyl)-5-(5-cyano-2-pyridinyl)-3-fluoro-6-(5-fluoro-2-pyridinyl)-4-pyridinyl]pyridine-3-carbonitrile is N#Cc1ccc(-c2c(-c3ccc(F)cn3)nc(-c3ccc(Cl)cn3)c(F)c2-c2ccc(C#N)cn2)nc1.
What is the InChIKey of 6-[2-(5-chloro-2-pyridinyl)-5-(5-cyano-2-pyridinyl)-3-fluoro-6-(5-fluoro-2-pyridinyl)-4-pyridinyl]pyridine-3-carbonitrile?
The InChIKey is GOXADRMERGOJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H12ClF2N7/c28-17-3-7-22(35-13-17)27-25(30)23(19-5-1-15(9-31)11-33-19)24(20-6-2-16(10-32)12-34-20)26(37-27)21-8-4-18(29)14-36-21/h1-8,11-14H.
What are the key properties of 6-[2-(5-chloro-2-pyridinyl)-5-(5-cyano-2-pyridinyl)-3-fluoro-6-(5-fluoro-2-pyridinyl)-4-pyridinyl]pyridine-3-carbonitrile?
6-[2-(5-chloro-2-pyridinyl)-5-(5-cyano-2-pyridinyl)-3-fluoro-6-(5-fluoro-2-pyridinyl)-4-pyridinyl]pyridine-3-carbonitrile has a molecular weight of 507.89 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-chloro-2-pyridinyl)-5-(5-cyano-2-pyridinyl)-3-fluoro-6-(5-fluoro-2-pyridinyl)-4-pyridinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 141351346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).