3-chloro-4-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]aniline

C14H11ClFN5 — CID 61378766

IUPAC3-chloro-4-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1ccc(F)c(-n2nnnc2-c2ccc(N)cc2Cl)c1
InChIInChI=1S/C14H11ClFN5/c1-8-2-5-12(16)13(6-8)21-14(18-19-20-21)10-4-3-9(17)7-11(10)15/h2-7H,17H2,1H3
InChIKeyNVZRMBYDNSWUNG-UHFFFAOYSA-N
MW303.73 g/mol
LogP3.01
Rot. Bonds2

About 3-chloro-4-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]aniline

3-chloro-4-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]aniline (PubChem CID 61378766) has the molecular formula C14H11ClFN5 and a molecular weight of 303.73 g/mol. Its IUPAC name is 3-chloro-4-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name3-chloro-4-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]aniline
PubChem CID61378766
Molecular FormulaC14H11ClFN5
Molecular Weight303.73 g/mol
Exact Mass303.07
IUPAC Name3-chloro-4-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]aniline
SMILESCc1ccc(F)c(-n2nnnc2-c2ccc(N)cc2Cl)c1
InChIInChI=1S/C14H11ClFN5/c1-8-2-5-12(16)13(6-8)21-14(18-19-20-21)10-4-3-9(17)7-11(10)15/h2-7H,17H2,1H3
InChIKeyNVZRMBYDNSWUNG-UHFFFAOYSA-N
XLogP3.01
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.73
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 61351658
4-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]aniline
CID 61354005
3-[1-(5-chloro-2-fluorophenyl)tetrazol-5-yl]-4-methylaniline
CID 61352684
4-chloro-3-[1-(2,5-dimethylphenyl)tetrazol-5-yl]aniline
CID 61351461
3-chloro-4-[1-(3-chloro-5-fluorophenyl)tetrazol-5-yl]aniline
CID 107370317
4-bromo-3-[1-(2-chloro-5-methylphenyl)tetrazol-5-yl]aniline
CID 107638770
3-[1-(2,5-difluorophenyl)tetrazol-5-yl]-4-fluoroaniline
CID 61353651
3-chloro-4-[1-(2-methoxyphenyl)tetrazol-5-yl]aniline
CID 61352660
3-[1-(2,5-dimethylphenyl)tetrazol-5-yl]-4-methylaniline
CID 61351662
3-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]-4-chloroaniline
CID 61353857
4-chloro-3-[1-(2,5-dichlorophenyl)tetrazol-5-yl]aniline
CID 61353052
4-chloro-3-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline
CID 61352885

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]aniline?
The IUPAC name of 3-chloro-4-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]aniline (CID 61378766) is 3-chloro-4-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 3-chloro-4-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 3-chloro-4-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]aniline is Cc1ccc(F)c(-n2nnnc2-c2ccc(N)cc2Cl)c1.
What is the InChIKey of 3-chloro-4-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]aniline?
The InChIKey is NVZRMBYDNSWUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN5/c1-8-2-5-12(16)13(6-8)21-14(18-19-20-21)10-4-3-9(17)7-11(10)15/h2-7H,17H2,1H3.
What are the key properties of 3-chloro-4-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]aniline?
3-chloro-4-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]aniline has a molecular weight of 303.73 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[1-(2-fluoro-5-methylphenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 61378766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).