4-(2-fluoro-5-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine

C13H10FN3 — CID 56723622

IUPAC4-(2-fluoro-5-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1ccc(F)c(-c2ncnc3[nH]ccc23)c1
InChIInChI=1S/C13H10FN3/c1-8-2-3-11(14)10(6-8)12-9-4-5-15-13(9)17-7-16-12/h2-7H,1H3,(H,15,16,17)
InChIKeyLFSMOOWBXHOLPU-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.07
Rot. Bonds1

About 4-(2-fluoro-5-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine

4-(2-fluoro-5-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 56723622) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 4-(2-fluoro-5-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-fluoro-5-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID56723622
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name4-(2-fluoro-5-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1ccc(F)c(-c2ncnc3[nH]ccc23)c1
InChIInChI=1S/C13H10FN3/c1-8-2-3-11(14)10(6-8)12-9-4-5-15-13(9)17-7-16-12/h2-7H,1H3,(H,15,16,17)
InChIKeyLFSMOOWBXHOLPU-UHFFFAOYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-fluoro-5-methylphenyl)-7H-purine
CID 56859242
4-(2-fluoro-5-methylphenyl)-5,6-dimethylidenepyrimidine
CID 123994846
4-fluoro-7H-pyrrolo[2,3-d]pyrimidine
CID 77134589
4-[3-methyl-5-(4-methylphenyl)triazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 142744346
1,2,3,4,5-pentafluoro-6-(2-fluoro-5-methylphenyl)benzene
CID 134617358
4-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 74221294
5-(2-fluoro-5-methylphenyl)pyrazin-2-amine
CID 56715716
N-tert-butyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide
CID 71019653
4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-benzothiazole
CID 166336922
1-(5-chloro-2-ethylphenyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-3-carbonitrile
CID 142767697
N-(2,3,4-trifluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875231
N-(2-fluoro-5-methylphenyl)-1H-imidazol-2-amine
CID 106561042

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(2-fluoro-5-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine (CID 56723622) is 4-(2-fluoro-5-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-fluoro-5-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-fluoro-5-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine is Cc1ccc(F)c(-c2ncnc3[nH]ccc23)c1.
What is the InChIKey of 4-(2-fluoro-5-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is LFSMOOWBXHOLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/c1-8-2-3-11(14)10(6-8)12-9-4-5-15-13(9)17-7-16-12/h2-7H,1H3,(H,15,16,17).
What are the key properties of 4-(2-fluoro-5-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
4-(2-fluoro-5-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 227.24 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 56723622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).