3-chloro-7-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde

C7H3ClFN3O — CID 55267555

IUPAC3-chloro-7-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde
SMILESO=Cc1nc2nc(F)ccn2c1Cl
InChIInChI=1S/C7H3ClFN3O/c8-6-4(3-13)10-7-11-5(9)1-2-12(6)7/h1-3H
InChIKeyRJDSCSHJSYFCDR-UHFFFAOYSA-N
MW199.57 g/mol
LogP1.33
Rot. Bonds1

About 3-chloro-7-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde

3-chloro-7-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde (PubChem CID 55267555) has the molecular formula C7H3ClFN3O and a molecular weight of 199.57 g/mol. Its IUPAC name is 3-chloro-7-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name3-chloro-7-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde
PubChem CID55267555
Molecular FormulaC7H3ClFN3O
Molecular Weight199.57 g/mol
Exact Mass198.99
IUPAC Name3-chloro-7-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde
SMILESO=Cc1nc2nc(F)ccn2c1Cl
InChIInChI=1S/C7H3ClFN3O/c8-6-4(3-13)10-7-11-5(9)1-2-12(6)7/h1-3H
InChIKeyRJDSCSHJSYFCDR-UHFFFAOYSA-N
XLogP1.33
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.57
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Imidazo[1,2-a]pyrimidine-2-carbaldehyde
CID 15152331
Imidazo[1,2-a]pyrimidine-3-carboxaldehyde
CID 404535
6-(Trifluoromethyl)imidazo[1,2-A]pyrimidine-3-carbaldehyde
CID 72211206
6-Fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 167346079
6-Fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde
CID 170973363
2-(Trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbonyl chloride
CID 176614092
5-Fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 55265961
7-Fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde
CID 55266777
5-Fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde
CID 55266778
3-Chloro-5-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde
CID 55267556
7-Fluoroimidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 55268183
2-(Trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carbaldehyde
CID 80500888

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde?
The IUPAC name of 3-chloro-7-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde (CID 55267555) is 3-chloro-7-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde.
What is the SMILES notation for 3-chloro-7-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde?
The canonical SMILES for 3-chloro-7-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde is O=Cc1nc2nc(F)ccn2c1Cl.
What is the InChIKey of 3-chloro-7-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde?
The InChIKey is RJDSCSHJSYFCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFN3O/c8-6-4(3-13)10-7-11-5(9)1-2-12(6)7/h1-3H.
What are the key properties of 3-chloro-7-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde?
3-chloro-7-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde has a molecular weight of 199.57 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-fluoroimidazo[1,2-a]pyrimidine-2-carbaldehyde is sourced from PubChem (CID 55267555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).