methyl 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoate

C11H10Cl2N4O2 — CID 57437280

IUPACmethyl 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cl)c(Cn2nnc(C)n2)c1Cl
InChIInChI=1S/C11H10Cl2N4O2/c1-6-14-16-17(15-6)5-8-9(12)4-3-7(10(8)13)11(18)19-2/h3-4H,5H2,1-2H3
InChIKeyQHIPTYDUAPDOOH-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.12
Rot. Bonds3

About methyl 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoate

methyl 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoate (PubChem CID 57437280) has the molecular formula C11H10Cl2N4O2 and a molecular weight of 301.13 g/mol. Its IUPAC name is methyl 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoate
PubChem CID57437280
Molecular FormulaC11H10Cl2N4O2
Molecular Weight301.13 g/mol
Exact Mass300.02
IUPAC Namemethyl 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cl)c(Cn2nnc(C)n2)c1Cl
InChIInChI=1S/C11H10Cl2N4O2/c1-6-14-16-17(15-6)5-8-9(12)4-3-7(10(8)13)11(18)19-2/h3-4H,5H2,1-2H3
InChIKeyQHIPTYDUAPDOOH-UHFFFAOYSA-N
XLogP2.12
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoyl chloride
CID 57437246
methyl 3-(bromomethyl)-2,4-dichlorobenzoate
CID 15477480
methyl 2,4-dichloro-3-fluorobenzoate
CID 121228328
methyl 2,4-dichloro-3-[(2-cyanoimino-1,3-thiazolidin-3-yl)methyl]benzoate
CID 15545017
methyl 2,3-dichloro-4-iodobenzoate
CID 134104394
2-[(2,6-dichloro-3-methoxycarbonylphenyl)methyl]-4-(iodomethyl)-5-methylbenzene-1,3-dicarboxylic acid
CID 175316930
methyl 2-chloro-4-hydroxy-3-methylbenzoate
CID 11820124
methyl 3-chloro-2-hydroxy-4-methylbenzoate
CID 131421304
methyl 4-chloro-3-hydroxy-2-methylbenzoate
CID 22559906
methyl 2-chloro-5-(3-methyl-1,2,4-triazol-1-yl)benzoate
CID 166607583
methyl 2,4-dichloro-3-[(4-methylphenyl)sulfonylamino]benzoate
CID 169371636
methyl 3-bromo-4-chloro-2-hydroxybenzoate
CID 171027268

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoate?
The IUPAC name of methyl 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoate (CID 57437280) is methyl 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoate.
What is the SMILES notation for methyl 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoate?
The canonical SMILES for methyl 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoate is COC(=O)c1ccc(Cl)c(Cn2nnc(C)n2)c1Cl.
What is the InChIKey of methyl 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoate?
The InChIKey is QHIPTYDUAPDOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O2/c1-6-14-16-17(15-6)5-8-9(12)4-3-7(10(8)13)11(18)19-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoate?
methyl 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoate has a molecular weight of 301.13 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoate is sourced from PubChem (CID 57437280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).