5-(4-chloro-2-iodophenyl)-2H-tetrazole

C7H4ClIN4 — CID 68634158

IUPAC5-(4-chloro-2-iodophenyl)-2H-tetrazole
SMILESClc1ccc(-c2nn[nH]n2)c(I)c1
InChIInChI=1S/C7H4ClIN4/c8-4-1-2-5(6(9)3-4)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChIKeyNAUDNTFGTILWMZ-UHFFFAOYSA-N
MW306.49 g/mol
LogP2.12
Rot. Bonds1

About 5-(4-chloro-2-iodophenyl)-2H-tetrazole

5-(4-chloro-2-iodophenyl)-2H-tetrazole (PubChem CID 68634158) has the molecular formula C7H4ClIN4 and a molecular weight of 306.49 g/mol. Its IUPAC name is 5-(4-chloro-2-iodophenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(4-chloro-2-iodophenyl)-2H-tetrazole
PubChem CID68634158
Molecular FormulaC7H4ClIN4
Molecular Weight306.49 g/mol
Exact Mass305.92
IUPAC Name5-(4-chloro-2-iodophenyl)-2H-tetrazole
SMILESClc1ccc(-c2nn[nH]n2)c(I)c1
InChIInChI=1S/C7H4ClIN4/c8-4-1-2-5(6(9)3-4)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChIKeyNAUDNTFGTILWMZ-UHFFFAOYSA-N
XLogP2.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-4-(2H-tetrazol-5-yl)benzoic acid
CID 44828524
1,4-bis(4-chloro-2-iodophenyl)-2,5-diiodobenzene
CID 122400325
1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 10407640
5-chloro-2-[2-(2H-tetrazol-5-yl)phenoxy]phenol
CID 157441605
(1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]pentan-1-ol
CID 163289288
N-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370119
(1R)-1-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]hexan-1-ol
CID 163289289
ethyl (E)-3-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]prop-2-enoate
CID 68805168
5-[4-[(3-chlorophenyl)methoxy]-3,5-diiodophenyl]-2H-tetrazole
CID 132593070
N-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)aniline
CID 125465468
4-(bromomethyl)-1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]pyrrolidin-2-one
CID 168505415
5-(2,4-dimethoxyphenyl)-2H-tetrazole
CID 82077250

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-iodophenyl)-2H-tetrazole?
The IUPAC name of 5-(4-chloro-2-iodophenyl)-2H-tetrazole (CID 68634158) is 5-(4-chloro-2-iodophenyl)-2H-tetrazole.
What is the SMILES notation for 5-(4-chloro-2-iodophenyl)-2H-tetrazole?
The canonical SMILES for 5-(4-chloro-2-iodophenyl)-2H-tetrazole is Clc1ccc(-c2nn[nH]n2)c(I)c1.
What is the InChIKey of 5-(4-chloro-2-iodophenyl)-2H-tetrazole?
The InChIKey is NAUDNTFGTILWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIN4/c8-4-1-2-5(6(9)3-4)7-10-12-13-11-7/h1-3H,(H,10,11,12,13).
What are the key properties of 5-(4-chloro-2-iodophenyl)-2H-tetrazole?
5-(4-chloro-2-iodophenyl)-2H-tetrazole has a molecular weight of 306.49 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-iodophenyl)-2H-tetrazole is sourced from PubChem (CID 68634158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).