methyl 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate

C16H13FN2O2 — CID 44549659

IUPACmethyl 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate
SMILESCOC(=O)c1cc2ccn(Cc3ccc(F)cc3)c2cn1
InChIInChI=1S/C16H13FN2O2/c1-21-16(20)14-8-12-6-7-19(15(12)9-18-14)10-11-2-4-13(17)5-3-11/h2-9H,10H2,1H3
InChIKeyXNZDUOIEJKNIDQ-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.01
Rot. Bonds3

About methyl 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate

methyl 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate (PubChem CID 44549659) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is methyl 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate
PubChem CID44549659
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Namemethyl 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate
SMILESCOC(=O)c1cc2ccn(Cc3ccc(F)cc3)c2cn1
InChIInChI=1S/C16H13FN2O2/c1-21-16(20)14-8-12-6-7-19(15(12)9-18-14)10-11-2-4-13(17)5-3-11/h2-9H,10H2,1H3
InChIKeyXNZDUOIEJKNIDQ-UHFFFAOYSA-N
XLogP3.01
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate?
The IUPAC name of methyl 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate (CID 44549659) is methyl 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate?
The canonical SMILES for methyl 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate is COC(=O)c1cc2ccn(Cc3ccc(F)cc3)c2cn1.
What is the InChIKey of methyl 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate?
The InChIKey is XNZDUOIEJKNIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-21-16(20)14-8-12-6-7-19(15(12)9-18-14)10-11-2-4-13(17)5-3-11/h2-9H,10H2,1H3.
What are the key properties of methyl 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate?
methyl 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate has a molecular weight of 284.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 44549659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).