N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-2-methylpyridin-3-amine

C12H12BrClN2O — CID 114049353

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-2-methylpyridin-3-amine
SMILESCc1nc(Cl)ccc1NC(C)c1ccc(Br)o1
InChIInChI=1S/C12H12BrClN2O/c1-7-9(3-6-12(14)16-7)15-8(2)10-4-5-11(13)17-10/h3-6,8,15H,1-2H3
InChIKeyNXFNANBBSCELDR-UHFFFAOYSA-N
MW315.60 g/mol
LogP4.57
Rot. Bonds3

About N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-2-methylpyridin-3-amine

N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-2-methylpyridin-3-amine (PubChem CID 114049353) has the molecular formula C12H12BrClN2O and a molecular weight of 315.60 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-2-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-2-methylpyridin-3-amine
PubChem CID114049353
Molecular FormulaC12H12BrClN2O
Molecular Weight315.60 g/mol
Exact Mass313.98
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-2-methylpyridin-3-amine
SMILESCc1nc(Cl)ccc1NC(C)c1ccc(Br)o1
InChIInChI=1S/C12H12BrClN2O/c1-7-9(3-6-12(14)16-7)15-8(2)10-4-5-11(13)17-10/h3-6,8,15H,1-2H3
InChIKeyNXFNANBBSCELDR-UHFFFAOYSA-N
XLogP4.57
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine
CID 114050661
4-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-2,3-dichloroaniline
CID 114001608
N-[1-(5-bromofuran-2-yl)ethyl]-3-chloro-2-methylaniline
CID 113437440
N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylaniline
CID 113437433
6-chloro-2-methyl-N-(3-methylbutan-2-yl)pyridin-3-amine
CID 107272250
6-chloro-2-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 114049325
N-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline
CID 104652071
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline
CID 104652074
N-[1-(5-bromofuran-2-yl)ethyl]-2-methylquinolin-8-amine
CID 104652980
N-[1-(5-bromofuran-2-yl)ethyl]-2,6-dichloroaniline
CID 104653070
N-[1-(5-bromofuran-2-yl)ethyl]-6-chloroquinolin-8-amine
CID 104652287
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline
CID 104652219

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-2-methylpyridin-3-amine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-2-methylpyridin-3-amine (CID 114049353) is N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-2-methylpyridin-3-amine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-2-methylpyridin-3-amine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-2-methylpyridin-3-amine is Cc1nc(Cl)ccc1NC(C)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-2-methylpyridin-3-amine?
The InChIKey is NXFNANBBSCELDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O/c1-7-9(3-6-12(14)16-7)15-8(2)10-4-5-11(13)17-10/h3-6,8,15H,1-2H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-2-methylpyridin-3-amine?
N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-2-methylpyridin-3-amine has a molecular weight of 315.60 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-2-methylpyridin-3-amine is sourced from PubChem (CID 114049353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).