2-amino-3-(3-chloropyrrolo[2,3-b]pyridin-1-yl)propanoic acid

C10H10ClN3O2 — CID 167727256

IUPAC2-amino-3-(3-chloropyrrolo[2,3-b]pyridin-1-yl)propanoic acid
SMILESNC(Cn1cc(Cl)c2cccnc21)C(=O)O
InChIInChI=1S/C10H10ClN3O2/c11-7-4-14(5-8(12)10(15)16)9-6(7)2-1-3-13-9/h1-4,8H,5,12H2,(H,15,16)
InChIKeyJORWPVOSTSNAEB-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.10
Rot. Bonds3

About 2-amino-3-(3-chloropyrrolo[2,3-b]pyridin-1-yl)propanoic acid

2-amino-3-(3-chloropyrrolo[2,3-b]pyridin-1-yl)propanoic acid (PubChem CID 167727256) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 2-amino-3-(3-chloropyrrolo[2,3-b]pyridin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-chloropyrrolo[2,3-b]pyridin-1-yl)propanoic acid
PubChem CID167727256
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name2-amino-3-(3-chloropyrrolo[2,3-b]pyridin-1-yl)propanoic acid
SMILESNC(Cn1cc(Cl)c2cccnc21)C(=O)O
InChIInChI=1S/C10H10ClN3O2/c11-7-4-14(5-8(12)10(15)16)9-6(7)2-1-3-13-9/h1-4,8H,5,12H2,(H,15,16)
InChIKeyJORWPVOSTSNAEB-UHFFFAOYSA-N
XLogP1.10
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-chloropyrrolo[2,3-b]pyridin-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(3-chloropyrrolo[2,3-b]pyridin-1-yl)propanoic acid (CID 167727256) is 2-amino-3-(3-chloropyrrolo[2,3-b]pyridin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-chloropyrrolo[2,3-b]pyridin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-chloropyrrolo[2,3-b]pyridin-1-yl)propanoic acid is NC(Cn1cc(Cl)c2cccnc21)C(=O)O.
What is the InChIKey of 2-amino-3-(3-chloropyrrolo[2,3-b]pyridin-1-yl)propanoic acid?
The InChIKey is JORWPVOSTSNAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c11-7-4-14(5-8(12)10(15)16)9-6(7)2-1-3-13-9/h1-4,8H,5,12H2,(H,15,16).
What are the key properties of 2-amino-3-(3-chloropyrrolo[2,3-b]pyridin-1-yl)propanoic acid?
2-amino-3-(3-chloropyrrolo[2,3-b]pyridin-1-yl)propanoic acid has a molecular weight of 239.66 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-chloropyrrolo[2,3-b]pyridin-1-yl)propanoic acid is sourced from PubChem (CID 167727256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).