5,6-difluoro-3-(5-fluoropyrimidin-4-yl)-1-methylindole

C13H8F3N3 — CID 170936103

IUPAC5,6-difluoro-3-(5-fluoropyrimidin-4-yl)-1-methylindole
SMILESCn1cc(-c2ncncc2F)c2cc(F)c(F)cc21
InChIInChI=1S/C13H8F3N3/c1-19-5-8(13-11(16)4-17-6-18-13)7-2-9(14)10(15)3-12(7)19/h2-6H,1H3
InChIKeyHRKMVARZBUBSPP-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.05
Rot. Bonds1

About 5,6-difluoro-3-(5-fluoropyrimidin-4-yl)-1-methylindole

5,6-difluoro-3-(5-fluoropyrimidin-4-yl)-1-methylindole (PubChem CID 170936103) has the molecular formula C13H8F3N3 and a molecular weight of 263.22 g/mol. Its IUPAC name is 5,6-difluoro-3-(5-fluoropyrimidin-4-yl)-1-methylindole.

Molecular Properties

Compound Name5,6-difluoro-3-(5-fluoropyrimidin-4-yl)-1-methylindole
PubChem CID170936103
Molecular FormulaC13H8F3N3
Molecular Weight263.22 g/mol
Exact Mass263.07
IUPAC Name5,6-difluoro-3-(5-fluoropyrimidin-4-yl)-1-methylindole
SMILESCn1cc(-c2ncncc2F)c2cc(F)c(F)cc21
InChIInChI=1S/C13H8F3N3/c1-19-5-8(13-11(16)4-17-6-18-13)7-2-9(14)10(15)3-12(7)19/h2-6H,1H3
InChIKeyHRKMVARZBUBSPP-UHFFFAOYSA-N
XLogP3.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,6-difluoro-3-(5-fluoropyrimidin-4-yl)-1-methylindole 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

6-methoxy-1-methyl-3-[5-(trifluoromethyl)pyrimidin-4-yl]indole
CID 150079095
5-fluoro-4-(2-methylphenyl)pyrimidine
CID 141276191
N-methyl-4-(1-methylindol-3-yl)pyrimidine-5-carboxamide
CID 162767566
4-fluoro-6-(5-fluoropyrimidin-4-yl)-2-methyl-1-propylbenzimidazole
CID 141417931
6,7-difluoro-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 10776368
pyrimido[4,5-g]quinazoline-5,10-dione
CID 151510286
5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine
CID 141123771
5-iodo-1-methyl-3-pyrimidin-4-ylindole
CID 58221787
oxetan-3-yl 4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
CID 175854584
7-methylpyrrolo[2,3-d]pyrimidin-5-amine
CID 82375489
ethane;5-fluoro-4-[5-methyl-3-(trifluoromethyl)-2-pyridinyl]pyrimidine
CID 170741210
3-(2-fluorophenyl)-1-methylindole-6-carboxylic acid
CID 170838792

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-3-(5-fluoropyrimidin-4-yl)-1-methylindole?
The IUPAC name of 5,6-difluoro-3-(5-fluoropyrimidin-4-yl)-1-methylindole (CID 170936103) is 5,6-difluoro-3-(5-fluoropyrimidin-4-yl)-1-methylindole.
What is the SMILES notation for 5,6-difluoro-3-(5-fluoropyrimidin-4-yl)-1-methylindole?
The canonical SMILES for 5,6-difluoro-3-(5-fluoropyrimidin-4-yl)-1-methylindole is Cn1cc(-c2ncncc2F)c2cc(F)c(F)cc21.
What is the InChIKey of 5,6-difluoro-3-(5-fluoropyrimidin-4-yl)-1-methylindole?
The InChIKey is HRKMVARZBUBSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3/c1-19-5-8(13-11(16)4-17-6-18-13)7-2-9(14)10(15)3-12(7)19/h2-6H,1H3.
What are the key properties of 5,6-difluoro-3-(5-fluoropyrimidin-4-yl)-1-methylindole?
5,6-difluoro-3-(5-fluoropyrimidin-4-yl)-1-methylindole has a molecular weight of 263.22 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-3-(5-fluoropyrimidin-4-yl)-1-methylindole is sourced from PubChem (CID 170936103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).