methyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carboxylate

C8H5Cl2N3O2 — CID 131521240

IUPACmethyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carboxylate
SMILESCOC(=O)c1ccc2c(Cl)nc(Cl)nn12
InChIInChI=1S/C8H5Cl2N3O2/c1-15-7(14)5-3-2-4-6(9)11-8(10)12-13(4)5/h2-3H,1H3
InChIKeyUDHSFJIRQPVAKM-UHFFFAOYSA-N
MW246.05 g/mol
LogP1.82
Rot. Bonds1

About methyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carboxylate

methyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carboxylate (PubChem CID 131521240) has the molecular formula C8H5Cl2N3O2 and a molecular weight of 246.05 g/mol. Its IUPAC name is methyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carboxylate
PubChem CID131521240
Molecular FormulaC8H5Cl2N3O2
Molecular Weight246.05 g/mol
Exact Mass244.98
IUPAC Namemethyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carboxylate
SMILESCOC(=O)c1ccc2c(Cl)nc(Cl)nn12
InChIInChI=1S/C8H5Cl2N3O2/c1-15-7(14)5-3-2-4-6(9)11-8(10)12-13(4)5/h2-3H,1H3
InChIKeyUDHSFJIRQPVAKM-UHFFFAOYSA-N
XLogP1.82
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.05
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-chloro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 130871543
methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 68585795
methyl 2-(3-chloroindazol-1-yl)-1,3-thiazole-4-carboxylate
CID 59332124
methyl 2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 66720768
methyl 5-chloro-1-methylindole-2-carboxylate
CID 4777715
methyl 1-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117250231
methyl 5-chloropyrrolo[1,2-b]pyridazine-7-carboxylate
CID 175697846
methyl pyrrolo[1,2-b]pyridazine-7-carboxylate
CID 83381157
methyl 7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine-6-carboxylate
CID 118997982
methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117250443
methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-6-carboxylate
CID 117251063
methyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 135397067

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carboxylate?
The IUPAC name of methyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carboxylate (CID 131521240) is methyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carboxylate.
What is the SMILES notation for methyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carboxylate?
The canonical SMILES for methyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carboxylate is COC(=O)c1ccc2c(Cl)nc(Cl)nn12.
What is the InChIKey of methyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carboxylate?
The InChIKey is UDHSFJIRQPVAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N3O2/c1-15-7(14)5-3-2-4-6(9)11-8(10)12-13(4)5/h2-3H,1H3.
What are the key properties of methyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carboxylate?
methyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carboxylate has a molecular weight of 246.05 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carboxylate is sourced from PubChem (CID 131521240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).