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

C10H7Cl3N4O — CID 57437246

IUPAC2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoyl chloride
SMILESCc1nnn(Cc2c(Cl)ccc(C(=O)Cl)c2Cl)n1
InChIInChI=1S/C10H7Cl3N4O/c1-5-14-16-17(15-5)4-7-8(11)3-2-6(9(7)12)10(13)18/h2-3H,4H2,1H3
InChIKeyXHJCRIYYBFGHMY-UHFFFAOYSA-N
MW305.55 g/mol
LogP2.72
Rot. Bonds3

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

2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoyl chloride (PubChem CID 57437246) has the molecular formula C10H7Cl3N4O and a molecular weight of 305.55 g/mol. Its IUPAC name is 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoyl chloride.

Molecular Properties

Compound Name2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoyl chloride
PubChem CID57437246
Molecular FormulaC10H7Cl3N4O
Molecular Weight305.55 g/mol
Exact Mass303.97
IUPAC Name2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoyl chloride
SMILESCc1nnn(Cc2c(Cl)ccc(C(=O)Cl)c2Cl)n1
InChIInChI=1S/C10H7Cl3N4O/c1-5-14-16-17(15-5)4-7-8(11)3-2-6(9(7)12)10(13)18/h2-3H,4H2,1H3
InChIKeyXHJCRIYYBFGHMY-UHFFFAOYSA-N
XLogP2.72
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.55
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoate
CID 57437280
4-chloro-2-[(5-methyltetrazol-2-yl)methyl]benzoic acid;[4-chloro-2-[(5-methyltetrazol-2-yl)methyl]phenyl]methanol
CID 162141345
2,4-dichloro-3-methylbenzoyl chloride
CID 13235952
2,4-dichloro-3-[2-(5-methylsulfanyltetrazol-2-yl)ethoxy]benzoyl chloride
CID 87999782
3-[(5-methyltetrazol-2-yl)methyl]benzamide
CID 59058879
4-[(5-methyltetrazol-2-yl)methyl]benzonitrile
CID 142243582
2,4-dichlorobenzene-1,3-dicarbonyl chloride
CID 21288822
2-chloro-3,4-dimethylbenzoyl chloride
CID 173294556
3-[4-methyl-2-[(5-methyltetrazol-2-yl)methyl]phenyl]prop-2-enoic acid
CID 123737077
2,4-dichloro-3-[2-(tetrazol-1-yl)ethoxy]benzoyl chloride
CID 57437255
[5-methyl-1-[(2,3,6-trichlorophenyl)methyl]triazol-4-yl]methanol
CID 94943704
1-(azetidin-1-yl)-3-[4-chloro-2-[(5-methyltetrazol-2-yl)methyl]phenyl]prop-2-en-1-one
CID 141438173

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoyl chloride?
The IUPAC name of 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoyl chloride (CID 57437246) is 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoyl chloride.
What is the SMILES notation for 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoyl chloride?
The canonical SMILES for 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoyl chloride is Cc1nnn(Cc2c(Cl)ccc(C(=O)Cl)c2Cl)n1.
What is the InChIKey of 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoyl chloride?
The InChIKey is XHJCRIYYBFGHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N4O/c1-5-14-16-17(15-5)4-7-8(11)3-2-6(9(7)12)10(13)18/h2-3H,4H2,1H3.
What are the key properties of 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoyl chloride?
2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoyl chloride has a molecular weight of 305.55 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-[(5-methyltetrazol-2-yl)methyl]benzoyl chloride is sourced from PubChem (CID 57437246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).