N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine

C9H11BrN2 — CID 168926477

IUPACN-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine
SMILESC=NN1C=C(Br)C=CC1=C(C)C
InChIInChI=1S/C9H11BrN2/c1-7(2)9-5-4-8(10)6-12(9)11-3/h4-6H,3H2,1-2H3
InChIKeyAAAKHLIQAJDKDN-UHFFFAOYSA-N
MW227.10 g/mol
LogP3.00
Rot. Bonds1

About N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine

N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine (PubChem CID 168926477) has the molecular formula C9H11BrN2 and a molecular weight of 227.10 g/mol. Its IUPAC name is N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine.

Molecular Properties

Compound NameN-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine
PubChem CID168926477
Molecular FormulaC9H11BrN2
Molecular Weight227.10 g/mol
Exact Mass226.01
IUPAC NameN-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine
SMILESC=NN1C=C(Br)C=CC1=C(C)C
InChIInChI=1S/C9H11BrN2/c1-7(2)9-5-4-8(10)6-12(9)11-3/h4-6H,3H2,1-2H3
InChIKeyAAAKHLIQAJDKDN-UHFFFAOYSA-N
XLogP3.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 53.00
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

ethane;N-(2-propan-2-ylidene-1-pyridinyl)methanimine
CID 144376796
N-[(2Z)-2-ethylidene-4-methyl-1-pyridinyl]methanimine
CID 145610791
4-bromo-N-ethyl-N-methyl-2-methylidenepyridin-1-amine
CID 155039514
5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine;ethane
CID 167470272
N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine;ethane
CID 168926476
N-(2-propan-2-ylidene-1-pyridinyl)methanimine
CID 144376797
5-bromo-N,N-dimethyl-2-propan-2-ylidenepyridin-1-amine
CID 167470273

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine?
The IUPAC name of N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine (CID 168926477) is N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine.
What is the SMILES notation for N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine?
The canonical SMILES for N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine is C=NN1C=C(Br)C=CC1=C(C)C.
What is the InChIKey of N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine?
The InChIKey is AAAKHLIQAJDKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2/c1-7(2)9-5-4-8(10)6-12(9)11-3/h4-6H,3H2,1-2H3.
What are the key properties of N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine?
N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine has a molecular weight of 227.10 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-propan-2-ylidene-1-pyridinyl)methanimine is sourced from PubChem (CID 168926477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).