1-(3-bromo-5-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanone

C10H8BrClN4O — CID 107944902

IUPAC1-(3-bromo-5-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)c2cc(Cl)cc(Br)c2)n1
InChIInChI=1S/C10H8BrClN4O/c1-16-14-10(13-15-16)5-9(17)6-2-7(11)4-8(12)3-6/h2-4H,5H2,1H3
InChIKeyNGOLAOILWKQKHT-UHFFFAOYSA-N
MW315.56 g/mol
LogP2.05
Rot. Bonds3

About 1-(3-bromo-5-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanone

1-(3-bromo-5-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107944902) has the molecular formula C10H8BrClN4O and a molecular weight of 315.56 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107944902
Molecular FormulaC10H8BrClN4O
Molecular Weight315.56 g/mol
Exact Mass313.96
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)c2cc(Cl)cc(Br)c2)n1
InChIInChI=1S/C10H8BrClN4O/c1-16-14-10(13-15-16)5-9(17)6-2-7(11)4-8(12)3-6/h2-4H,5H2,1H3
InChIKeyNGOLAOILWKQKHT-UHFFFAOYSA-N
XLogP2.05
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.56
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromo-5-chlorophenyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107944900
1-(3-bromo-4-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047423
1-(3-bromo-4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063270
1-(5-bromo-2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063415
1-(5-methylfuran-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063527
2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone
CID 130573080
1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063406
1-[4-(aminomethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone
CID 107061734
1-(4-chloro-2-methoxyphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047688
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone
CID 107063236
1-(3-bromo-5-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 107944320
3-bromo-5-chloro-N-ethyl-N-methylbenzamide
CID 103826781

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107944902) is 1-(3-bromo-5-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)c2cc(Cl)cc(Br)c2)n1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is NGOLAOILWKQKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4O/c1-16-14-10(13-15-16)5-9(17)6-2-7(11)4-8(12)3-6/h2-4H,5H2,1H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(3-bromo-5-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 315.56 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107944902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).