N-[(6-bromo-2-pyridinyl)methyl]-3,5-dichloroaniline

C12H9BrCl2N2 — CID 112581737

IUPACN-[(6-bromo-2-pyridinyl)methyl]-3,5-dichloroaniline
SMILESClc1cc(Cl)cc(NCc2cccc(Br)n2)c1
InChIInChI=1S/C12H9BrCl2N2/c13-12-3-1-2-10(17-12)7-16-11-5-8(14)4-9(15)6-11/h1-6,16H,7H2
InChIKeyXEUYJWADPCLTNT-UHFFFAOYSA-N
MW332.03 g/mol
LogP4.76
Rot. Bonds3

About N-[(6-bromo-2-pyridinyl)methyl]-3,5-dichloroaniline

N-[(6-bromo-2-pyridinyl)methyl]-3,5-dichloroaniline (PubChem CID 112581737) has the molecular formula C12H9BrCl2N2 and a molecular weight of 332.03 g/mol. Its IUPAC name is N-[(6-bromo-2-pyridinyl)methyl]-3,5-dichloroaniline.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)methyl]-3,5-dichloroaniline
PubChem CID112581737
Molecular FormulaC12H9BrCl2N2
Molecular Weight332.03 g/mol
Exact Mass329.93
IUPAC NameN-[(6-bromo-2-pyridinyl)methyl]-3,5-dichloroaniline
SMILESClc1cc(Cl)cc(NCc2cccc(Br)n2)c1
InChIInChI=1S/C12H9BrCl2N2/c13-12-3-1-2-10(17-12)7-16-11-5-8(14)4-9(15)6-11/h1-6,16H,7H2
InChIKeyXEUYJWADPCLTNT-UHFFFAOYSA-N
XLogP4.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.03
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-bromo-2-pyridinyl)methyl]-5-chloro-2-fluoroaniline
CID 112581924
N-[(6-bromo-2-pyridinyl)methyl]-4-propan-2-ylaniline
CID 112581739
N-[(6-bromo-2-pyridinyl)methyl]-2,4,5-trichloroaniline
CID 112581720
N-[(6-bromo-2-pyridinyl)methyl]-4-iodoaniline
CID 112581894
N-[(6-bromo-2-pyridinyl)methyl]-3-chloro-4-methoxyaniline
CID 112581707
N-[(6-bromo-2-pyridinyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 115937775
4-[(6-bromo-2-pyridinyl)methylamino]benzonitrile
CID 112581776
N-[(6-bromo-2-pyridinyl)methyl]-3,5-dichloro-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
CID 115938086
N-[(6-bromo-2-pyridinyl)methyl]-3-iodo-4-methylaniline
CID 112582027
N-[(6-bromo-2-pyridinyl)methyl]-4-(difluoromethoxy)aniline
CID 112581806
N-[(6-bromo-2-pyridinyl)methyl]-1-(4-chlorophenyl)methanamine
CID 112581883
N-[(6-bromo-2-pyridinyl)methyl]-1,3-dihydro-2-benzofuran-5-amine
CID 113357969

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-3,5-dichloroaniline?
The IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-3,5-dichloroaniline (CID 112581737) is N-[(6-bromo-2-pyridinyl)methyl]-3,5-dichloroaniline.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)methyl]-3,5-dichloroaniline?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)methyl]-3,5-dichloroaniline is Clc1cc(Cl)cc(NCc2cccc(Br)n2)c1.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)methyl]-3,5-dichloroaniline?
The InChIKey is XEUYJWADPCLTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2/c13-12-3-1-2-10(17-12)7-16-11-5-8(14)4-9(15)6-11/h1-6,16H,7H2.
What are the key properties of N-[(6-bromo-2-pyridinyl)methyl]-3,5-dichloroaniline?
N-[(6-bromo-2-pyridinyl)methyl]-3,5-dichloroaniline has a molecular weight of 332.03 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-pyridinyl)methyl]-3,5-dichloroaniline is sourced from PubChem (CID 112581737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).