2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine

C7H4F3N3 — CID 154364896

IUPAC2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESFC(F)(F)c1ncc2cc[nH]c2n1
InChIInChI=1S/C7H4F3N3/c8-7(9,10)6-12-3-4-1-2-11-5(4)13-6/h1-3H,(H,11,12,13)
InChIKeyLRDQJRSTOBSSGY-UHFFFAOYSA-N
MW187.12 g/mol
LogP1.98
Rot. Bonds

About 2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine

2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 154364896) has the molecular formula C7H4F3N3 and a molecular weight of 187.12 g/mol. Its IUPAC name is 2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID154364896
Molecular FormulaC7H4F3N3
Molecular Weight187.12 g/mol
Exact Mass187.04
IUPAC Name2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESFC(F)(F)c1ncc2cc[nH]c2n1
InChIInChI=1S/C7H4F3N3/c8-7(9,10)6-12-3-4-1-2-11-5(4)13-6/h1-3H,(H,11,12,13)
InChIKeyLRDQJRSTOBSSGY-UHFFFAOYSA-N
XLogP1.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.12
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 151254482
N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 118207021
2-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 54126427
2-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidine
CID 138608442
bromo(trifluoro)methane;1H-pyrrolo[2,3-b]pyridine
CID 174310958
CID 87584548
CID 87584548
2,4-bis(trifluoromethyl)-1,3,5-triazine
CID 91614506
6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67173582
methyl 7H-pyrrolo[2,3-d]pyrimidin-2-ylmethanesulfonate
CID 141106412
propanoate;5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 86639056
4,5-dimethyl-2-(trifluoromethyl)pyrimidine;ethane
CID 168939240
5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine
CID 158881003

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine (CID 154364896) is 2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine is FC(F)(F)c1ncc2cc[nH]c2n1.
What is the InChIKey of 2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is LRDQJRSTOBSSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3/c8-7(9,10)6-12-3-4-1-2-11-5(4)13-6/h1-3H,(H,11,12,13).
What are the key properties of 2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine?
2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 187.12 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 154364896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).