2-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid

C16H13FN2O2 — CID 150242648

IUPAC2-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid
SMILESCn1c(Cc2ccc(F)cc2)cc2ccc(C(=O)O)nc21
InChIInChI=1S/C16H13FN2O2/c1-19-13(8-10-2-5-12(17)6-3-10)9-11-4-7-14(16(20)21)18-15(11)19/h2-7,9H,8H2,1H3,(H,20,21)
InChIKeyFXVRCOHKIZQLJT-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.00
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid

2-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid (PubChem CID 150242648) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid
PubChem CID150242648
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name2-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid
SMILESCn1c(Cc2ccc(F)cc2)cc2ccc(C(=O)O)nc21
InChIInChI=1S/C16H13FN2O2/c1-19-13(8-10-2-5-12(17)6-3-10)9-11-4-7-14(16(20)21)18-15(11)19/h2-7,9H,8H2,1H3,(H,20,21)
InChIKeyFXVRCOHKIZQLJT-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid (CID 150242648) is 2-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid is Cn1c(Cc2ccc(F)cc2)cc2ccc(C(=O)O)nc21.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid?
The InChIKey is FXVRCOHKIZQLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-19-13(8-10-2-5-12(17)6-3-10)9-11-4-7-14(16(20)21)18-15(11)19/h2-7,9H,8H2,1H3,(H,20,21).
What are the key properties of 2-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid?
2-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid has a molecular weight of 284.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 150242648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).