3-chloro-5-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline

C9H9ClFN5 — CID 107364765

IUPAC3-chloro-5-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
SMILESCn1nnc(CNc2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C9H9ClFN5/c1-16-14-9(13-15-16)5-12-8-3-6(10)2-7(11)4-8/h2-4,12H,5H2,1H3
InChIKeyUUOYCIZOGOZENQ-UHFFFAOYSA-N
MW241.66 g/mol
LogP1.61
Rot. Bonds3

About 3-chloro-5-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline

3-chloro-5-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline (PubChem CID 107364765) has the molecular formula C9H9ClFN5 and a molecular weight of 241.66 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
PubChem CID107364765
Molecular FormulaC9H9ClFN5
Molecular Weight241.66 g/mol
Exact Mass241.05
IUPAC Name3-chloro-5-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
SMILESCn1nnc(CNc2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C9H9ClFN5/c1-16-14-9(13-15-16)5-12-8-3-6(10)2-7(11)4-8/h2-4,12H,5H2,1H3
InChIKeyUUOYCIZOGOZENQ-UHFFFAOYSA-N
XLogP1.61
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.66
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-difluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042078
4-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 69215565
3,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 69431441
3-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-fluoroaniline
CID 103818410
3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoroaniline
CID 103894043
3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 103773172
2,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042005
3-chloro-5-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 107365450
1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107042414
3-chloro-5-fluoro-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107365473
3-chloro-5-fluoro-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103818393
3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline
CID 107363892

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline?
The IUPAC name of 3-chloro-5-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline (CID 107364765) is 3-chloro-5-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline.
What is the SMILES notation for 3-chloro-5-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline?
The canonical SMILES for 3-chloro-5-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline is Cn1nnc(CNc2cc(F)cc(Cl)c2)n1.
What is the InChIKey of 3-chloro-5-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline?
The InChIKey is UUOYCIZOGOZENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN5/c1-16-14-9(13-15-16)5-12-8-3-6(10)2-7(11)4-8/h2-4,12H,5H2,1H3.
What are the key properties of 3-chloro-5-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline?
3-chloro-5-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline has a molecular weight of 241.66 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline is sourced from PubChem (CID 107364765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).