N-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-1-phenylmethanimine

C14H10BrN3 — CID 67459369

IUPACN-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-1-phenylmethanimine
SMILESBrc1cnc2ccn(N=Cc3ccccc3)c2c1
InChIInChI=1S/C14H10BrN3/c15-12-8-14-13(16-10-12)6-7-18(14)17-9-11-4-2-1-3-5-11/h1-10H
InChIKeyHLYHINDNFCNYOB-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.68
Rot. Bonds2

About N-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-1-phenylmethanimine

N-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-1-phenylmethanimine (PubChem CID 67459369) has the molecular formula C14H10BrN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is N-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-1-phenylmethanimine
PubChem CID67459369
Molecular FormulaC14H10BrN3
Molecular Weight300.16 g/mol
Exact Mass299.01
IUPAC NameN-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-1-phenylmethanimine
SMILESBrc1cnc2ccn(N=Cc3ccccc3)c2c1
InChIInChI=1S/C14H10BrN3/c15-12-8-14-13(16-10-12)6-7-18(14)17-9-11-4-2-1-3-5-11/h1-10H
InChIKeyHLYHINDNFCNYOB-UHFFFAOYSA-N
XLogP3.68
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-1-phenylmethanimine?
The IUPAC name of N-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-1-phenylmethanimine (CID 67459369) is N-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-1-phenylmethanimine.
What is the SMILES notation for N-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-1-phenylmethanimine?
The canonical SMILES for N-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-1-phenylmethanimine is Brc1cnc2ccn(N=Cc3ccccc3)c2c1.
What is the InChIKey of N-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-1-phenylmethanimine?
The InChIKey is HLYHINDNFCNYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3/c15-12-8-14-13(16-10-12)6-7-18(14)17-9-11-4-2-1-3-5-11/h1-10H.
What are the key properties of N-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-1-phenylmethanimine?
N-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-1-phenylmethanimine has a molecular weight of 300.16 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromopyrrolo[3,2-b]pyridin-1-yl)-1-phenylmethanimine is sourced from PubChem (CID 67459369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).