N-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline

C13H12BrClN2 — CID 113344581

IUPACN-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline
SMILESCc1ccc(Cl)c(NCc2ccc(Br)cn2)c1
InChIInChI=1S/C13H12BrClN2/c1-9-2-5-12(15)13(6-9)17-8-11-4-3-10(14)7-16-11/h2-7,17H,8H2,1H3
InChIKeyPCFCRVYMOYQROB-UHFFFAOYSA-N
MW311.61 g/mol
LogP4.42
Rot. Bonds3

About N-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline

N-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline (PubChem CID 113344581) has the molecular formula C13H12BrClN2 and a molecular weight of 311.61 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline
PubChem CID113344581
Molecular FormulaC13H12BrClN2
Molecular Weight311.61 g/mol
Exact Mass309.99
IUPAC NameN-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline
SMILESCc1ccc(Cl)c(NCc2ccc(Br)cn2)c1
InChIInChI=1S/C13H12BrClN2/c1-9-2-5-12(15)13(6-9)17-8-11-4-3-10(14)7-16-11/h2-7,17H,8H2,1H3
InChIKeyPCFCRVYMOYQROB-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 103880797
2-chloro-N-[(3,5-dibromo-2-pyridinyl)methyl]-5-methylaniline
CID 107631263
methyl 6-[(2-chloro-5-methylanilino)methyl]pyridine-3-carboxylate
CID 107634700
2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-methylsulfonylaniline
CID 81311269
N-[(5-bromo-2-pyridinyl)methyl]-4-chloro-2-iodoaniline
CID 107632508
N-[(5-bromo-2-pyridinyl)methyl]-2,6-dichloroaniline
CID 65467806
N-[(5-bromo-2-pyridinyl)methyl]-3,5-dichloro-4-fluoroaniline
CID 107572987
5-bromo-2-chloro-N-[(2,5-dimethylphenyl)methyl]aniline
CID 63477043
5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline
CID 62913558
2-fluoro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81312960
2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-(tetrazol-1-yl)aniline
CID 81308331
2-chloro-4-iodo-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81312999

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline?
The IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline (CID 113344581) is N-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline is Cc1ccc(Cl)c(NCc2ccc(Br)cn2)c1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline?
The InChIKey is PCFCRVYMOYQROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2/c1-9-2-5-12(15)13(6-9)17-8-11-4-3-10(14)7-16-11/h2-7,17H,8H2,1H3.
What are the key properties of N-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline?
N-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline has a molecular weight of 311.61 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline is sourced from PubChem (CID 113344581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).