4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]pyridine

C13H10FN5 — CID 47037035

IUPAC4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]pyridine
SMILESFc1cccc(-c2nnn(Cc3ccncc3)n2)c1
InChIInChI=1S/C13H10FN5/c14-12-3-1-2-11(8-12)13-16-18-19(17-13)9-10-4-6-15-7-5-10/h1-8H,9H2
InChIKeyGAPLCXGCMIIJTJ-UHFFFAOYSA-N
MW255.26 g/mol
LogP1.92
Rot. Bonds3

About 4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]pyridine

4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]pyridine (PubChem CID 47037035) has the molecular formula C13H10FN5 and a molecular weight of 255.26 g/mol. Its IUPAC name is 4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]pyridine
PubChem CID47037035
Molecular FormulaC13H10FN5
Molecular Weight255.26 g/mol
Exact Mass255.09
IUPAC Name4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]pyridine
SMILESFc1cccc(-c2nnn(Cc3ccncc3)n2)c1
InChIInChI=1S/C13H10FN5/c14-12-3-1-2-11(8-12)13-16-18-19(17-13)9-10-4-6-15-7-5-10/h1-8H,9H2
InChIKeyGAPLCXGCMIIJTJ-UHFFFAOYSA-N
XLogP1.92
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline
CID 119053620
3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]pyridine
CID 16763011
2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 30823221
1-(3-fluorophenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]ethanone
CID 8676792
5-(4-chlorophenyl)-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole
CID 16601584
5-tert-butyl-2-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-oxazole
CID 47026357
4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole
CID 25311503
3-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]aniline
CID 119053622
2-(3-bromophenyl)-4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole
CID 16611662
2-[(3-chlorophenyl)methyl]-5-phenyltetrazole
CID 7278082
3-(3,5-dimethylphenyl)-7-[3-[2-(pyridin-4-ylmethyl)tetrazol-5-yl]phenyl]pyrazolo[1,5-a]pyrimidine
CID 11604966
2-[2-(3-ethylphenoxy)ethyl]-5-(3-fluorophenyl)tetrazole
CID 112769919

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]pyridine?
The IUPAC name of 4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]pyridine (CID 47037035) is 4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]pyridine.
What is the SMILES notation for 4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]pyridine?
The canonical SMILES for 4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]pyridine is Fc1cccc(-c2nnn(Cc3ccncc3)n2)c1.
What is the InChIKey of 4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]pyridine?
The InChIKey is GAPLCXGCMIIJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5/c14-12-3-1-2-11(8-12)13-16-18-19(17-13)9-10-4-6-15-7-5-10/h1-8H,9H2.
What are the key properties of 4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]pyridine?
4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]pyridine has a molecular weight of 255.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]pyridine is sourced from PubChem (CID 47037035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).