(9E)-9-[(4-bromophenyl)methylidene]indeno[2,1-b]pyridine

C19H12BrN — CID 6448037

IUPAC(9E)-9-[(4-bromophenyl)methylidene]indeno[2,1-b]pyridine
SMILESBrc1ccc(/C=C2\c3ccccc3-c3cccnc32)cc1
InChIInChI=1S/C19H12BrN/c20-14-9-7-13(8-10-14)12-18-16-5-2-1-4-15(16)17-6-3-11-21-19(17)18/h1-12H/b18-12+
InChIKeyPGAKVZRBPHFHKV-LDADJPATSA-N
MW334.22 g/mol
LogP5.41
Rot. Bonds1

About (9E)-9-[(4-bromophenyl)methylidene]indeno[2,1-b]pyridine

(9E)-9-[(4-bromophenyl)methylidene]indeno[2,1-b]pyridine (PubChem CID 6448037) has the molecular formula C19H12BrN and a molecular weight of 334.22 g/mol. Its IUPAC name is (9E)-9-[(4-bromophenyl)methylidene]indeno[2,1-b]pyridine.

Molecular Properties

Compound Name(9E)-9-[(4-bromophenyl)methylidene]indeno[2,1-b]pyridine
PubChem CID6448037
Molecular FormulaC19H12BrN
Molecular Weight334.22 g/mol
Exact Mass333.02
IUPAC Name(9E)-9-[(4-bromophenyl)methylidene]indeno[2,1-b]pyridine
SMILESBrc1ccc(/C=C2\c3ccccc3-c3cccnc32)cc1
InChIInChI=1S/C19H12BrN/c20-14-9-7-13(8-10-14)12-18-16-5-2-1-4-15(16)17-6-3-11-21-19(17)18/h1-12H/b18-12+
InChIKeyPGAKVZRBPHFHKV-LDADJPATSA-N
XLogP5.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.22
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Brompheniramine
CID 6834
Dexbrompheniramine
CID 16960
2-(4-Bromophenyl)-5-pentylpyridine
CID 3092175
4-Fluoren-9-ylidenemethyl-pyridine
CID 256445
3-(9h-Fluoren-9-ylidenemethyl)pyridine
CID 256446
3-{[(1E)-5-bromo-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539767
(3-Pyridylmethylene)indane 9b
CID 6539768
2-(4-Bromophenyl)-5-butylpyridine
CID 3126214
(4-Pyridylmethylene)indane 10a
CID 6539794
4-{[(1Z)-5-bromo-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539795
(3-Pyridylmethylene)indane 37a
CID 6539819
N-(2-pyridinylmethylene)-9H-fluoren-2-amine
CID 225630

Frequently Asked Questions

What is the IUPAC name of (9E)-9-[(4-bromophenyl)methylidene]indeno[2,1-b]pyridine?
The IUPAC name of (9E)-9-[(4-bromophenyl)methylidene]indeno[2,1-b]pyridine (CID 6448037) is (9E)-9-[(4-bromophenyl)methylidene]indeno[2,1-b]pyridine.
What is the SMILES notation for (9E)-9-[(4-bromophenyl)methylidene]indeno[2,1-b]pyridine?
The canonical SMILES for (9E)-9-[(4-bromophenyl)methylidene]indeno[2,1-b]pyridine is Brc1ccc(/C=C2\c3ccccc3-c3cccnc32)cc1.
What is the InChIKey of (9E)-9-[(4-bromophenyl)methylidene]indeno[2,1-b]pyridine?
The InChIKey is PGAKVZRBPHFHKV-LDADJPATSA-N. The full InChI is InChI=1S/C19H12BrN/c20-14-9-7-13(8-10-14)12-18-16-5-2-1-4-15(16)17-6-3-11-21-19(17)18/h1-12H/b18-12+.
What are the key properties of (9E)-9-[(4-bromophenyl)methylidene]indeno[2,1-b]pyridine?
(9E)-9-[(4-bromophenyl)methylidene]indeno[2,1-b]pyridine has a molecular weight of 334.22 g/mol, XLogP of 5.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-9-[(4-bromophenyl)methylidene]indeno[2,1-b]pyridine is sourced from PubChem (CID 6448037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).