N-[(2E)-3-bromo-2-cyclohexa-2,4-dien-1-ylidene-1-pyridinyl]methanimine

C12H11BrN2 — CID 144803780

IUPACN-[(2E)-3-bromo-2-cyclohexa-2,4-dien-1-ylidene-1-pyridinyl]methanimine
SMILESC=NN1C=CC=C(Br)/C1=C1\C=CC=CC1
InChIInChI=1S/C12H11BrN2/c1-14-15-9-5-8-11(13)12(15)10-6-3-2-4-7-10/h2-6,8-9H,1,7H2/b12-10-
InChIKeyDNWCXDODJQBQNS-BENRWUELSA-N
MW263.14 g/mol
LogP3.48
Rot. Bonds1

About N-[(2E)-3-bromo-2-cyclohexa-2,4-dien-1-ylidene-1-pyridinyl]methanimine

N-[(2E)-3-bromo-2-cyclohexa-2,4-dien-1-ylidene-1-pyridinyl]methanimine (PubChem CID 144803780) has the molecular formula C12H11BrN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is N-[(2E)-3-bromo-2-cyclohexa-2,4-dien-1-ylidene-1-pyridinyl]methanimine.

Molecular Properties

Compound NameN-[(2E)-3-bromo-2-cyclohexa-2,4-dien-1-ylidene-1-pyridinyl]methanimine
PubChem CID144803780
Molecular FormulaC12H11BrN2
Molecular Weight263.14 g/mol
Exact Mass262.01
IUPAC NameN-[(2E)-3-bromo-2-cyclohexa-2,4-dien-1-ylidene-1-pyridinyl]methanimine
SMILESC=NN1C=CC=C(Br)/C1=C1\C=CC=CC1
InChIInChI=1S/C12H11BrN2/c1-14-15-9-5-8-11(13)12(15)10-6-3-2-4-7-10/h2-6,8-9H,1,7H2/b12-10-
InChIKeyDNWCXDODJQBQNS-BENRWUELSA-N
XLogP3.48
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2Z)-5-methyl-2-propylidene-1-pyridinyl]methanimine
CID 168258070
3-bromo-N,N,5-trimethyl-2-methylidenepyridin-1-amine
CID 159984985
N-[(2Z)-2-ethylidene-5-methyl-1-pyridinyl]methanimine
CID 169152678

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3-bromo-2-cyclohexa-2,4-dien-1-ylidene-1-pyridinyl]methanimine?
The IUPAC name of N-[(2E)-3-bromo-2-cyclohexa-2,4-dien-1-ylidene-1-pyridinyl]methanimine (CID 144803780) is N-[(2E)-3-bromo-2-cyclohexa-2,4-dien-1-ylidene-1-pyridinyl]methanimine.
What is the SMILES notation for N-[(2E)-3-bromo-2-cyclohexa-2,4-dien-1-ylidene-1-pyridinyl]methanimine?
The canonical SMILES for N-[(2E)-3-bromo-2-cyclohexa-2,4-dien-1-ylidene-1-pyridinyl]methanimine is C=NN1C=CC=C(Br)/C1=C1\C=CC=CC1.
What is the InChIKey of N-[(2E)-3-bromo-2-cyclohexa-2,4-dien-1-ylidene-1-pyridinyl]methanimine?
The InChIKey is DNWCXDODJQBQNS-BENRWUELSA-N. The full InChI is InChI=1S/C12H11BrN2/c1-14-15-9-5-8-11(13)12(15)10-6-3-2-4-7-10/h2-6,8-9H,1,7H2/b12-10-.
What are the key properties of N-[(2E)-3-bromo-2-cyclohexa-2,4-dien-1-ylidene-1-pyridinyl]methanimine?
N-[(2E)-3-bromo-2-cyclohexa-2,4-dien-1-ylidene-1-pyridinyl]methanimine has a molecular weight of 263.14 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3-bromo-2-cyclohexa-2,4-dien-1-ylidene-1-pyridinyl]methanimine is sourced from PubChem (CID 144803780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).