2-[1-[(2-chloro-6-fluorophenyl)methyl]tetrazol-5-yl]aniline

C14H11ClFN5 — CID 23020021

IUPAC2-[1-[(2-chloro-6-fluorophenyl)methyl]tetrazol-5-yl]aniline
SMILESNc1ccccc1-c1nnnn1Cc1c(F)cccc1Cl
InChIInChI=1S/C14H11ClFN5/c15-11-5-3-6-12(16)10(11)8-21-14(18-19-20-21)9-4-1-2-7-13(9)17/h1-7H,8,17H2
InChIKeyIYTLQSJXQXBGON-UHFFFAOYSA-N
MW303.73 g/mol
LogP2.76
Rot. Bonds3

About 2-[1-[(2-chloro-6-fluorophenyl)methyl]tetrazol-5-yl]aniline

2-[1-[(2-chloro-6-fluorophenyl)methyl]tetrazol-5-yl]aniline (PubChem CID 23020021) has the molecular formula C14H11ClFN5 and a molecular weight of 303.73 g/mol. Its IUPAC name is 2-[1-[(2-chloro-6-fluorophenyl)methyl]tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-[1-[(2-chloro-6-fluorophenyl)methyl]tetrazol-5-yl]aniline
PubChem CID23020021
Molecular FormulaC14H11ClFN5
Molecular Weight303.73 g/mol
Exact Mass303.07
IUPAC Name2-[1-[(2-chloro-6-fluorophenyl)methyl]tetrazol-5-yl]aniline
SMILESNc1ccccc1-c1nnnn1Cc1c(F)cccc1Cl
InChIInChI=1S/C14H11ClFN5/c15-11-5-3-6-12(16)10(11)8-21-14(18-19-20-21)9-4-1-2-7-13(9)17/h1-7H,8,17H2
InChIKeyIYTLQSJXQXBGON-UHFFFAOYSA-N
XLogP2.76
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.73
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-6-fluorophenyl)methyl]tetrazol-5-yl]aniline?
The IUPAC name of 2-[1-[(2-chloro-6-fluorophenyl)methyl]tetrazol-5-yl]aniline (CID 23020021) is 2-[1-[(2-chloro-6-fluorophenyl)methyl]tetrazol-5-yl]aniline.
What is the SMILES notation for 2-[1-[(2-chloro-6-fluorophenyl)methyl]tetrazol-5-yl]aniline?
The canonical SMILES for 2-[1-[(2-chloro-6-fluorophenyl)methyl]tetrazol-5-yl]aniline is Nc1ccccc1-c1nnnn1Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[1-[(2-chloro-6-fluorophenyl)methyl]tetrazol-5-yl]aniline?
The InChIKey is IYTLQSJXQXBGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN5/c15-11-5-3-6-12(16)10(11)8-21-14(18-19-20-21)9-4-1-2-7-13(9)17/h1-7H,8,17H2.
What are the key properties of 2-[1-[(2-chloro-6-fluorophenyl)methyl]tetrazol-5-yl]aniline?
2-[1-[(2-chloro-6-fluorophenyl)methyl]tetrazol-5-yl]aniline has a molecular weight of 303.73 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-6-fluorophenyl)methyl]tetrazol-5-yl]aniline is sourced from PubChem (CID 23020021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).