4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid

C14H10N2O2 — CID 69192349

IUPAC4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C14H10N2O2/c17-14(18)10-3-1-9(2-4-10)11-5-7-15-13-12(11)6-8-16-13/h1-8H,(H,15,16)(H,17,18)
InChIKeyMXCCPCGMCQQOTI-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.93
Rot. Bonds2

About 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid

4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid (PubChem CID 69192349) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid.

Molecular Properties

Compound Name4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
PubChem CID69192349
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C14H10N2O2/c17-14(18)10-3-1-9(2-4-10)11-5-7-15-13-12(11)6-8-16-13/h1-8H,(H,15,16)(H,17,18)
InChIKeyMXCCPCGMCQQOTI-UHFFFAOYSA-N
XLogP2.93
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid?
The IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid (CID 69192349) is 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid.
What is the SMILES notation for 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid?
The canonical SMILES for 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid is O=C(O)c1ccc(-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid?
The InChIKey is MXCCPCGMCQQOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-14(18)10-3-1-9(2-4-10)11-5-7-15-13-12(11)6-8-16-13/h1-8H,(H,15,16)(H,17,18).
What are the key properties of 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid?
4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid has a molecular weight of 238.25 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzoic acid is sourced from PubChem (CID 69192349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).