(2Z)-2-(9-methylindeno[1,2-b]pyridin-5-ylidene)acetic acid

C15H11NO2 — CID 82578871

IUPAC(2Z)-2-(9-methylindeno[1,2-b]pyridin-5-ylidene)acetic acid
SMILESCc1cccc2c1-c1ncccc1/C2=C\C(=O)O
InChIInChI=1S/C15H11NO2/c1-9-4-2-5-10-12(8-13(17)18)11-6-3-7-16-15(11)14(9)10/h2-8H,1H3,(H,17,18)/b12-8-
InChIKeyPCTWUEJUYJDFAX-WQLSENKSSA-N
MW237.26 g/mol
LogP2.89
Rot. Bonds1

About (2Z)-2-(9-methylindeno[1,2-b]pyridin-5-ylidene)acetic acid

(2Z)-2-(9-methylindeno[1,2-b]pyridin-5-ylidene)acetic acid (PubChem CID 82578871) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is (2Z)-2-(9-methylindeno[1,2-b]pyridin-5-ylidene)acetic acid.

Molecular Properties

Compound Name(2Z)-2-(9-methylindeno[1,2-b]pyridin-5-ylidene)acetic acid
PubChem CID82578871
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name(2Z)-2-(9-methylindeno[1,2-b]pyridin-5-ylidene)acetic acid
SMILESCc1cccc2c1-c1ncccc1/C2=C\C(=O)O
InChIInChI=1S/C15H11NO2/c1-9-4-2-5-10-12(8-13(17)18)11-6-3-7-16-15(11)14(9)10/h2-8H,1H3,(H,17,18)/b12-8-
InChIKeyPCTWUEJUYJDFAX-WQLSENKSSA-N
XLogP2.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(9-methylindeno[1,2-b]pyridin-5-ylidene)acetic acid?
The IUPAC name of (2Z)-2-(9-methylindeno[1,2-b]pyridin-5-ylidene)acetic acid (CID 82578871) is (2Z)-2-(9-methylindeno[1,2-b]pyridin-5-ylidene)acetic acid.
What is the SMILES notation for (2Z)-2-(9-methylindeno[1,2-b]pyridin-5-ylidene)acetic acid?
The canonical SMILES for (2Z)-2-(9-methylindeno[1,2-b]pyridin-5-ylidene)acetic acid is Cc1cccc2c1-c1ncccc1/C2=C\C(=O)O.
What is the InChIKey of (2Z)-2-(9-methylindeno[1,2-b]pyridin-5-ylidene)acetic acid?
The InChIKey is PCTWUEJUYJDFAX-WQLSENKSSA-N. The full InChI is InChI=1S/C15H11NO2/c1-9-4-2-5-10-12(8-13(17)18)11-6-3-7-16-15(11)14(9)10/h2-8H,1H3,(H,17,18)/b12-8-.
What are the key properties of (2Z)-2-(9-methylindeno[1,2-b]pyridin-5-ylidene)acetic acid?
(2Z)-2-(9-methylindeno[1,2-b]pyridin-5-ylidene)acetic acid has a molecular weight of 237.26 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(9-methylindeno[1,2-b]pyridin-5-ylidene)acetic acid is sourced from PubChem (CID 82578871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).