2,4-dichloro-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine

C8H6Cl2FN3 — CID 58398901

IUPAC2,4-dichloro-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine
SMILESFCCn1ccc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C8H6Cl2FN3/c9-6-5-1-3-14(4-2-11)7(5)13-8(10)12-6/h1,3H,2,4H2
InChIKeyXGJZRSSMPLGXDD-UHFFFAOYSA-N
MW234.06 g/mol
LogP2.71
Rot. Bonds2

About 2,4-dichloro-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine

2,4-dichloro-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine (PubChem CID 58398901) has the molecular formula C8H6Cl2FN3 and a molecular weight of 234.06 g/mol. Its IUPAC name is 2,4-dichloro-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine
PubChem CID58398901
Molecular FormulaC8H6Cl2FN3
Molecular Weight234.06 g/mol
Exact Mass232.99
IUPAC Name2,4-dichloro-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine
SMILESFCCn1ccc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C8H6Cl2FN3/c9-6-5-1-3-14(4-2-11)7(5)13-8(10)12-6/h1,3H,2,4H2
InChIKeyXGJZRSSMPLGXDD-UHFFFAOYSA-N
XLogP2.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.06
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7H-Pyrrolo(2,3-d)pyrimidine, 4-chloro-
CID 5356682
2,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidine
CID 14116871
7-Methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 265827
4-Chloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 265829
4-chloro-7H-pyrrolo(2,3-d)pyrimidin-2-amine
CID 5324413
2,4-Dichloro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 25230953
4-Chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 10920898
1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)ethanone
CID 373190
4'-Chloro-4,7'-bi-7H-pyrrolo[2,3-d]pyrimidine
CID 15726011
4,6-Dichloro-7H-pyrrolo(2,3-d)pyrimidine
CID 14431058
2-Chloro-7-methyl-7H-pyrrolo(2,3-d)pyrimidine
CID 57415888
5-Bromo-4-chloro-7-methyl-7H-pyrrolo(2,3-d)pyrimidine
CID 66545160

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2,4-dichloro-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine (CID 58398901) is 2,4-dichloro-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine is FCCn1ccc2c(Cl)nc(Cl)nc21.
What is the InChIKey of 2,4-dichloro-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine?
The InChIKey is XGJZRSSMPLGXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2FN3/c9-6-5-1-3-14(4-2-11)7(5)13-8(10)12-6/h1,3H,2,4H2.
What are the key properties of 2,4-dichloro-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine?
2,4-dichloro-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine has a molecular weight of 234.06 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 58398901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).