2-[3-(2,6-dichloro-4-fluorobenzoyl)indolizin-1-yl]pyrimidine-5-carboxylic acid

C20H10Cl2FN3O3 — CID 121472848

IUPAC2-[3-(2,6-dichloro-4-fluorobenzoyl)indolizin-1-yl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cc(C(=O)c3c(Cl)cc(F)cc3Cl)n3ccccc23)nc1
InChIInChI=1S/C20H10Cl2FN3O3/c21-13-5-11(23)6-14(22)17(13)18(27)16-7-12(15-3-1-2-4-26(15)16)19-24-8-10(9-25-19)20(28)29/h1-9H,(H,28,29)
InChIKeyLDOITUCOXWDXFW-UHFFFAOYSA-N
MW430.22 g/mol
LogP4.77
Rot. Bonds4

About 2-[3-(2,6-dichloro-4-fluorobenzoyl)indolizin-1-yl]pyrimidine-5-carboxylic acid

2-[3-(2,6-dichloro-4-fluorobenzoyl)indolizin-1-yl]pyrimidine-5-carboxylic acid (PubChem CID 121472848) has the molecular formula C20H10Cl2FN3O3 and a molecular weight of 430.22 g/mol. Its IUPAC name is 2-[3-(2,6-dichloro-4-fluorobenzoyl)indolizin-1-yl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2,6-dichloro-4-fluorobenzoyl)indolizin-1-yl]pyrimidine-5-carboxylic acid
PubChem CID121472848
Molecular FormulaC20H10Cl2FN3O3
Molecular Weight430.22 g/mol
Exact Mass429.01
IUPAC Name2-[3-(2,6-dichloro-4-fluorobenzoyl)indolizin-1-yl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2cc(C(=O)c3c(Cl)cc(F)cc3Cl)n3ccccc23)nc1
InChIInChI=1S/C20H10Cl2FN3O3/c21-13-5-11(23)6-14(22)17(13)18(27)16-7-12(15-3-1-2-4-26(15)16)19-24-8-10(9-25-19)20(28)29/h1-9H,(H,28,29)
InChIKeyLDOITUCOXWDXFW-UHFFFAOYSA-N
XLogP4.77
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.22
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dichloro-4-fluorobenzoyl)indolizin-1-yl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[3-(2,6-dichloro-4-fluorobenzoyl)indolizin-1-yl]pyrimidine-5-carboxylic acid (CID 121472848) is 2-[3-(2,6-dichloro-4-fluorobenzoyl)indolizin-1-yl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[3-(2,6-dichloro-4-fluorobenzoyl)indolizin-1-yl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[3-(2,6-dichloro-4-fluorobenzoyl)indolizin-1-yl]pyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2cc(C(=O)c3c(Cl)cc(F)cc3Cl)n3ccccc23)nc1.
What is the InChIKey of 2-[3-(2,6-dichloro-4-fluorobenzoyl)indolizin-1-yl]pyrimidine-5-carboxylic acid?
The InChIKey is LDOITUCOXWDXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl2FN3O3/c21-13-5-11(23)6-14(22)17(13)18(27)16-7-12(15-3-1-2-4-26(15)16)19-24-8-10(9-25-19)20(28)29/h1-9H,(H,28,29).
What are the key properties of 2-[3-(2,6-dichloro-4-fluorobenzoyl)indolizin-1-yl]pyrimidine-5-carboxylic acid?
2-[3-(2,6-dichloro-4-fluorobenzoyl)indolizin-1-yl]pyrimidine-5-carboxylic acid has a molecular weight of 430.22 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dichloro-4-fluorobenzoyl)indolizin-1-yl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 121472848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).