2-[2-methyl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid

C16H15N3O2 — CID 23582350

IUPAC2-[2-methyl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2cccnc2n1Cc1ccccn1
InChIInChI=1S/C16H15N3O2/c1-11-14(9-15(20)21)13-6-4-8-18-16(13)19(11)10-12-5-2-3-7-17-12/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyQVWTYEMWHBLSII-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.42
Rot. Bonds4

About 2-[2-methyl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid

2-[2-methyl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid (PubChem CID 23582350) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[2-methyl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid
PubChem CID23582350
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-[2-methyl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2cccnc2n1Cc1ccccn1
InChIInChI=1S/C16H15N3O2/c1-11-14(9-15(20)21)13-6-4-8-18-16(13)19(11)10-12-5-2-3-7-17-12/h2-8H,9-10H2,1H3,(H,20,21)
InChIKeyQVWTYEMWHBLSII-UHFFFAOYSA-N
XLogP2.42
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[2-methyl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid (CID 23582350) is 2-[2-methyl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-methyl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[2-methyl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid is Cc1c(CC(=O)O)c2cccnc2n1Cc1ccccn1.
What is the InChIKey of 2-[2-methyl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid?
The InChIKey is QVWTYEMWHBLSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-14(9-15(20)21)13-6-4-8-18-16(13)19(11)10-12-5-2-3-7-17-12/h2-8H,9-10H2,1H3,(H,20,21).
What are the key properties of 2-[2-methyl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid?
2-[2-methyl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid is sourced from PubChem (CID 23582350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).