2-chloro-4-(3-methylindazol-1-yl)pyrimidine-5-carbonitrile

C13H8ClN5 — CID 155324468

IUPAC2-chloro-4-(3-methylindazol-1-yl)pyrimidine-5-carbonitrile
SMILESCc1nn(-c2nc(Cl)ncc2C#N)c2ccccc12
InChIInChI=1S/C13H8ClN5/c1-8-10-4-2-3-5-11(10)19(18-8)12-9(6-15)7-16-13(14)17-12/h2-5,7H,1H3
InChIKeyUDTRRXOPGYNJTJ-UHFFFAOYSA-N
MW269.70 g/mol
LogP2.65
Rot. Bonds1

About 2-chloro-4-(3-methylindazol-1-yl)pyrimidine-5-carbonitrile

2-chloro-4-(3-methylindazol-1-yl)pyrimidine-5-carbonitrile (PubChem CID 155324468) has the molecular formula C13H8ClN5 and a molecular weight of 269.70 g/mol. Its IUPAC name is 2-chloro-4-(3-methylindazol-1-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-(3-methylindazol-1-yl)pyrimidine-5-carbonitrile
PubChem CID155324468
Molecular FormulaC13H8ClN5
Molecular Weight269.70 g/mol
Exact Mass269.05
IUPAC Name2-chloro-4-(3-methylindazol-1-yl)pyrimidine-5-carbonitrile
SMILESCc1nn(-c2nc(Cl)ncc2C#N)c2ccccc12
InChIInChI=1S/C13H8ClN5/c1-8-10-4-2-3-5-11(10)19(18-8)12-9(6-15)7-16-13(14)17-12/h2-5,7H,1H3
InChIKeyUDTRRXOPGYNJTJ-UHFFFAOYSA-N
XLogP2.65
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-(3-methylindazol-1-yl)pyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-(1-methylindazol-3-yl)pyrimidine-5-carbonitrile;molecular fluorine
CID 161149045
1-(2,5-dichloropyrimidin-4-yl)indole-4-carbonitrile
CID 171524604
1-(2,5-dichloropyrimidin-4-yl)indazol-3-amine
CID 130205746
2-chloro-4-piperidin-1-ylpyrimidine-5-carbonitrile
CID 167090091
4-(3-methylindazol-1-yl)isoquinoline
CID 118496552
5-[1-(ethylamino)ethenyl]-2-(3-methylindazol-1-yl)benzonitrile
CID 163814638
6-chloro-1-methyl-5H-pyrido[4,3-b]indole-4-carbonitrile
CID 143469743
8-chloro-4-methylquinoline-3-carbonitrile
CID 105454918
1,3-dimethylindazole-7-carbonitrile
CID 83816263
2,5-dichloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidine
CID 79631899
2-(3-chloro-2-methylpyrazolo[1,5-a]quinazolin-5-yl)oxybenzonitrile
CID 27306086
4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile
CID 116865128

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-methylindazol-1-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 2-chloro-4-(3-methylindazol-1-yl)pyrimidine-5-carbonitrile (CID 155324468) is 2-chloro-4-(3-methylindazol-1-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-chloro-4-(3-methylindazol-1-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-chloro-4-(3-methylindazol-1-yl)pyrimidine-5-carbonitrile is Cc1nn(-c2nc(Cl)ncc2C#N)c2ccccc12.
What is the InChIKey of 2-chloro-4-(3-methylindazol-1-yl)pyrimidine-5-carbonitrile?
The InChIKey is UDTRRXOPGYNJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN5/c1-8-10-4-2-3-5-11(10)19(18-8)12-9(6-15)7-16-13(14)17-12/h2-5,7H,1H3.
What are the key properties of 2-chloro-4-(3-methylindazol-1-yl)pyrimidine-5-carbonitrile?
2-chloro-4-(3-methylindazol-1-yl)pyrimidine-5-carbonitrile has a molecular weight of 269.70 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-methylindazol-1-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 155324468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).