2-bromo-3-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]aniline

C14H11BrClN5 — CID 107638733

IUPAC2-bromo-3-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1ccc(Cl)c(-n2nnnc2-c2cccc(N)c2Br)c1
InChIInChI=1S/C14H11BrClN5/c1-8-5-6-10(16)12(7-8)21-14(18-19-20-21)9-3-2-4-11(17)13(9)15/h2-7H,17H2,1H3
InChIKeyHCXWGEFBTZTCKJ-UHFFFAOYSA-N
MW364.63 g/mol
LogP3.64
Rot. Bonds2

About 2-bromo-3-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]aniline

2-bromo-3-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]aniline (PubChem CID 107638733) has the molecular formula C14H11BrClN5 and a molecular weight of 364.63 g/mol. Its IUPAC name is 2-bromo-3-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-bromo-3-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]aniline
PubChem CID107638733
Molecular FormulaC14H11BrClN5
Molecular Weight364.63 g/mol
Exact Mass362.99
IUPAC Name2-bromo-3-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1ccc(Cl)c(-n2nnnc2-c2cccc(N)c2Br)c1
InChIInChI=1S/C14H11BrClN5/c1-8-5-6-10(16)12(7-8)21-14(18-19-20-21)9-3-2-4-11(17)13(9)15/h2-7H,17H2,1H3
InChIKeyHCXWGEFBTZTCKJ-UHFFFAOYSA-N
XLogP3.64
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.63
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]-3-methylaniline
CID 107638746
4-bromo-3-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]aniline
CID 107638770
2-[1-(2-chlorophenyl)tetrazol-5-yl]-4-methylaniline
CID 65455841
3-chloro-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 63661482
2-[1-(2,3-dichlorophenyl)tetrazol-5-yl]-4-methylaniline
CID 65453950
2-[1-(2,4,5-trichlorophenyl)tetrazol-5-yl]aniline
CID 61351820
3-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]-4-chloroaniline
CID 61353857
2-chloro-3-[1-(2-chlorophenyl)tetrazol-5-yl]aniline
CID 115936191
2-[1-(4-bromo-2-chlorophenyl)tetrazol-5-yl]aniline
CID 61353220
4-chloro-3-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 61351461
3-[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline
CID 61376410
2-chloro-3-[1-(3-methylphenyl)tetrazol-5-yl]aniline
CID 115936201

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-bromo-3-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]aniline (CID 107638733) is 2-bromo-3-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-bromo-3-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-bromo-3-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]aniline is Cc1ccc(Cl)c(-n2nnnc2-c2cccc(N)c2Br)c1.
What is the InChIKey of 2-bromo-3-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]aniline?
The InChIKey is HCXWGEFBTZTCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClN5/c1-8-5-6-10(16)12(7-8)21-14(18-19-20-21)9-3-2-4-11(17)13(9)15/h2-7H,17H2,1H3.
What are the key properties of 2-bromo-3-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]aniline?
2-bromo-3-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]aniline has a molecular weight of 364.63 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 107638733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).