1-(2,5-dichloropyrimidin-4-yl)indole-4-carbonitrile

C13H6Cl2N4 — CID 171524604

IUPAC1-(2,5-dichloropyrimidin-4-yl)indole-4-carbonitrile
SMILESN#Cc1cccc2c1ccn2-c1nc(Cl)ncc1Cl
InChIInChI=1S/C13H6Cl2N4/c14-10-7-17-13(15)18-12(10)19-5-4-9-8(6-16)2-1-3-11(9)19/h1-5,7H
InChIKeyLBSWFIDIIRMBRJ-UHFFFAOYSA-N
MW289.13 g/mol
LogP3.60
Rot. Bonds1

About 1-(2,5-dichloropyrimidin-4-yl)indole-4-carbonitrile

1-(2,5-dichloropyrimidin-4-yl)indole-4-carbonitrile (PubChem CID 171524604) has the molecular formula C13H6Cl2N4 and a molecular weight of 289.13 g/mol. Its IUPAC name is 1-(2,5-dichloropyrimidin-4-yl)indole-4-carbonitrile.

Molecular Properties

Compound Name1-(2,5-dichloropyrimidin-4-yl)indole-4-carbonitrile
PubChem CID171524604
Molecular FormulaC13H6Cl2N4
Molecular Weight289.13 g/mol
Exact Mass288.00
IUPAC Name1-(2,5-dichloropyrimidin-4-yl)indole-4-carbonitrile
SMILESN#Cc1cccc2c1ccn2-c1nc(Cl)ncc1Cl
InChIInChI=1S/C13H6Cl2N4/c14-10-7-17-13(15)18-12(10)19-5-4-9-8(6-16)2-1-3-11(9)19/h1-5,7H
InChIKeyLBSWFIDIIRMBRJ-UHFFFAOYSA-N
XLogP3.60
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(3-methylindazol-1-yl)pyrimidine-5-carbonitrile
CID 155324468
1-(cyanomethyl)indole-4-carbonitrile
CID 107919207
1-(2,5-dichloropyrimidin-4-yl)indazol-3-amine
CID 130205746
2-chloro-4-piperidin-1-ylpyrimidine-5-carbonitrile
CID 167090091
2-chloro-4-(1-methylindazol-3-yl)pyrimidine-5-carbonitrile;molecular fluorine
CID 161149045
1-(2-chloro-5-fluoropyrimidin-4-yl)pyrazole-3-carbonitrile
CID 162356477
2,5-dichloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 79633439
1-but-2-ynylindole-4-carbonitrile
CID 107919088
1-cyclopropylindole-4-carbonitrile
CID 115016174
4-cyanoindole-1-carboxylic acid
CID 67420400
1-[2-(2-chlorophenyl)-2-oxoethyl]indole-4-carbonitrile
CID 107918801
1-[(2-chloro-4-cyanophenyl)methyl]indole-4-carbonitrile
CID 107918981

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloropyrimidin-4-yl)indole-4-carbonitrile?
The IUPAC name of 1-(2,5-dichloropyrimidin-4-yl)indole-4-carbonitrile (CID 171524604) is 1-(2,5-dichloropyrimidin-4-yl)indole-4-carbonitrile.
What is the SMILES notation for 1-(2,5-dichloropyrimidin-4-yl)indole-4-carbonitrile?
The canonical SMILES for 1-(2,5-dichloropyrimidin-4-yl)indole-4-carbonitrile is N#Cc1cccc2c1ccn2-c1nc(Cl)ncc1Cl.
What is the InChIKey of 1-(2,5-dichloropyrimidin-4-yl)indole-4-carbonitrile?
The InChIKey is LBSWFIDIIRMBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2N4/c14-10-7-17-13(15)18-12(10)19-5-4-9-8(6-16)2-1-3-11(9)19/h1-5,7H.
What are the key properties of 1-(2,5-dichloropyrimidin-4-yl)indole-4-carbonitrile?
1-(2,5-dichloropyrimidin-4-yl)indole-4-carbonitrile has a molecular weight of 289.13 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloropyrimidin-4-yl)indole-4-carbonitrile is sourced from PubChem (CID 171524604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).