3-(2,5-dichloropyrimidin-4-yl)-5,6-difluoro-1H-indole

C12H5Cl2F2N3 — CID 145444309

IUPAC3-(2,5-dichloropyrimidin-4-yl)-5,6-difluoro-1H-indole
SMILESFc1cc2[nH]cc(-c3nc(Cl)ncc3Cl)c2cc1F
InChIInChI=1S/C12H5Cl2F2N3/c13-7-4-18-12(14)19-11(7)6-3-17-10-2-9(16)8(15)1-5(6)10/h1-4,17H
InChIKeyWRRSOTOUPVLIGY-UHFFFAOYSA-N
MW300.10 g/mol
LogP4.21
Rot. Bonds1

About 3-(2,5-dichloropyrimidin-4-yl)-5,6-difluoro-1H-indole

3-(2,5-dichloropyrimidin-4-yl)-5,6-difluoro-1H-indole (PubChem CID 145444309) has the molecular formula C12H5Cl2F2N3 and a molecular weight of 300.10 g/mol. Its IUPAC name is 3-(2,5-dichloropyrimidin-4-yl)-5,6-difluoro-1H-indole.

Molecular Properties

Compound Name3-(2,5-dichloropyrimidin-4-yl)-5,6-difluoro-1H-indole
PubChem CID145444309
Molecular FormulaC12H5Cl2F2N3
Molecular Weight300.10 g/mol
Exact Mass298.98
IUPAC Name3-(2,5-dichloropyrimidin-4-yl)-5,6-difluoro-1H-indole
SMILESFc1cc2[nH]cc(-c3nc(Cl)ncc3Cl)c2cc1F
InChIInChI=1S/C12H5Cl2F2N3/c13-7-4-18-12(14)19-11(7)6-3-17-10-2-9(16)8(15)1-5(6)10/h1-4,17H
InChIKeyWRRSOTOUPVLIGY-UHFFFAOYSA-N
XLogP4.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichloropyrimidin-4-yl)-5,6-difluoro-1H-indole?
The IUPAC name of 3-(2,5-dichloropyrimidin-4-yl)-5,6-difluoro-1H-indole (CID 145444309) is 3-(2,5-dichloropyrimidin-4-yl)-5,6-difluoro-1H-indole.
What is the SMILES notation for 3-(2,5-dichloropyrimidin-4-yl)-5,6-difluoro-1H-indole?
The canonical SMILES for 3-(2,5-dichloropyrimidin-4-yl)-5,6-difluoro-1H-indole is Fc1cc2[nH]cc(-c3nc(Cl)ncc3Cl)c2cc1F.
What is the InChIKey of 3-(2,5-dichloropyrimidin-4-yl)-5,6-difluoro-1H-indole?
The InChIKey is WRRSOTOUPVLIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2F2N3/c13-7-4-18-12(14)19-11(7)6-3-17-10-2-9(16)8(15)1-5(6)10/h1-4,17H.
What are the key properties of 3-(2,5-dichloropyrimidin-4-yl)-5,6-difluoro-1H-indole?
3-(2,5-dichloropyrimidin-4-yl)-5,6-difluoro-1H-indole has a molecular weight of 300.10 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichloropyrimidin-4-yl)-5,6-difluoro-1H-indole is sourced from PubChem (CID 145444309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).