1-(cyclopropylmethyl)-6-fluoropyrrolo[2,3-b]pyridine-2-carboxylic acid

C12H11FN2O2 — CID 129231404

IUPAC1-(cyclopropylmethyl)-6-fluoropyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(F)nc2n1CC1CC1
InChIInChI=1S/C12H11FN2O2/c13-10-4-3-8-5-9(12(16)17)15(11(8)14-10)6-7-1-2-7/h3-5,7H,1-2,6H2,(H,16,17)
InChIKeySNCOSQBXRXFZQN-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.28
Rot. Bonds3

About 1-(cyclopropylmethyl)-6-fluoropyrrolo[2,3-b]pyridine-2-carboxylic acid

1-(cyclopropylmethyl)-6-fluoropyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 129231404) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-fluoropyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-fluoropyrrolo[2,3-b]pyridine-2-carboxylic acid
PubChem CID129231404
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name1-(cyclopropylmethyl)-6-fluoropyrrolo[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2ccc(F)nc2n1CC1CC1
InChIInChI=1S/C12H11FN2O2/c13-10-4-3-8-5-9(12(16)17)15(11(8)14-10)6-7-1-2-7/h3-5,7H,1-2,6H2,(H,16,17)
InChIKeySNCOSQBXRXFZQN-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-fluoropyrrolo[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-6-fluoropyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 129231404) is 1-(cyclopropylmethyl)-6-fluoropyrrolo[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-fluoropyrrolo[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-6-fluoropyrrolo[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc2ccc(F)nc2n1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-6-fluoropyrrolo[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is SNCOSQBXRXFZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-10-4-3-8-5-9(12(16)17)15(11(8)14-10)6-7-1-2-7/h3-5,7H,1-2,6H2,(H,16,17).
What are the key properties of 1-(cyclopropylmethyl)-6-fluoropyrrolo[2,3-b]pyridine-2-carboxylic acid?
1-(cyclopropylmethyl)-6-fluoropyrrolo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 234.23 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-fluoropyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 129231404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).