1-(2-chloro-5-fluoropyrimidin-4-yl)-4-(trifluoromethyl)pyrrole-3-carbaldehyde

C10H4ClF4N3O — CID 121269203

IUPAC1-(2-chloro-5-fluoropyrimidin-4-yl)-4-(trifluoromethyl)pyrrole-3-carbaldehyde
SMILESO=Cc1cn(-c2nc(Cl)ncc2F)cc1C(F)(F)F
InChIInChI=1S/C10H4ClF4N3O/c11-9-16-1-7(12)8(17-9)18-2-5(4-19)6(3-18)10(13,14)15/h1-4H
InChIKeyRLSZLHFREFBVNL-UHFFFAOYSA-N
MW293.61 g/mol
LogP2.89
Rot. Bonds2

About 1-(2-chloro-5-fluoropyrimidin-4-yl)-4-(trifluoromethyl)pyrrole-3-carbaldehyde

1-(2-chloro-5-fluoropyrimidin-4-yl)-4-(trifluoromethyl)pyrrole-3-carbaldehyde (PubChem CID 121269203) has the molecular formula C10H4ClF4N3O and a molecular weight of 293.61 g/mol. Its IUPAC name is 1-(2-chloro-5-fluoropyrimidin-4-yl)-4-(trifluoromethyl)pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-chloro-5-fluoropyrimidin-4-yl)-4-(trifluoromethyl)pyrrole-3-carbaldehyde
PubChem CID121269203
Molecular FormulaC10H4ClF4N3O
Molecular Weight293.61 g/mol
Exact Mass293.00
IUPAC Name1-(2-chloro-5-fluoropyrimidin-4-yl)-4-(trifluoromethyl)pyrrole-3-carbaldehyde
SMILESO=Cc1cn(-c2nc(Cl)ncc2F)cc1C(F)(F)F
InChIInChI=1S/C10H4ClF4N3O/c11-9-16-1-7(12)8(17-9)18-2-5(4-19)6(3-18)10(13,14)15/h1-4H
InChIKeyRLSZLHFREFBVNL-UHFFFAOYSA-N
XLogP2.89
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.61
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)-4-(trifluoromethyl)pyrrole-3-carbaldehyde?
The IUPAC name of 1-(2-chloro-5-fluoropyrimidin-4-yl)-4-(trifluoromethyl)pyrrole-3-carbaldehyde (CID 121269203) is 1-(2-chloro-5-fluoropyrimidin-4-yl)-4-(trifluoromethyl)pyrrole-3-carbaldehyde.
What is the SMILES notation for 1-(2-chloro-5-fluoropyrimidin-4-yl)-4-(trifluoromethyl)pyrrole-3-carbaldehyde?
The canonical SMILES for 1-(2-chloro-5-fluoropyrimidin-4-yl)-4-(trifluoromethyl)pyrrole-3-carbaldehyde is O=Cc1cn(-c2nc(Cl)ncc2F)cc1C(F)(F)F.
What is the InChIKey of 1-(2-chloro-5-fluoropyrimidin-4-yl)-4-(trifluoromethyl)pyrrole-3-carbaldehyde?
The InChIKey is RLSZLHFREFBVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF4N3O/c11-9-16-1-7(12)8(17-9)18-2-5(4-19)6(3-18)10(13,14)15/h1-4H.
What are the key properties of 1-(2-chloro-5-fluoropyrimidin-4-yl)-4-(trifluoromethyl)pyrrole-3-carbaldehyde?
1-(2-chloro-5-fluoropyrimidin-4-yl)-4-(trifluoromethyl)pyrrole-3-carbaldehyde has a molecular weight of 293.61 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluoropyrimidin-4-yl)-4-(trifluoromethyl)pyrrole-3-carbaldehyde is sourced from PubChem (CID 121269203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).