2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-4-amine

C8H9FN6 — CID 106194456

IUPAC2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-4-amine
SMILESCC(Nc1ccnc(F)c1)c1nn[nH]n1
InChIInChI=1S/C8H9FN6/c1-5(8-12-14-15-13-8)11-6-2-3-10-7(9)4-6/h2-5H,1H3,(H,10,11)(H,12,13,14,15)
InChIKeyQGTQINWCKPNAOV-UHFFFAOYSA-N
MW208.20 g/mol
LogP0.91
Rot. Bonds3

About 2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-4-amine

2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-4-amine (PubChem CID 106194456) has the molecular formula C8H9FN6 and a molecular weight of 208.20 g/mol. Its IUPAC name is 2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-4-amine
PubChem CID106194456
Molecular FormulaC8H9FN6
Molecular Weight208.20 g/mol
Exact Mass208.09
IUPAC Name2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-4-amine
SMILESCC(Nc1ccnc(F)c1)c1nn[nH]n1
InChIInChI=1S/C8H9FN6/c1-5(8-12-14-15-13-8)11-6-2-3-10-7(9)4-6/h2-5H,1H3,(H,10,11)(H,12,13,14,15)
InChIKeyQGTQINWCKPNAOV-UHFFFAOYSA-N
XLogP0.91
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-4-amine?
The IUPAC name of 2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-4-amine (CID 106194456) is 2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-4-amine is CC(Nc1ccnc(F)c1)c1nn[nH]n1.
What is the InChIKey of 2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-4-amine?
The InChIKey is QGTQINWCKPNAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN6/c1-5(8-12-14-15-13-8)11-6-2-3-10-7(9)4-6/h2-5H,1H3,(H,10,11)(H,12,13,14,15).
What are the key properties of 2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-4-amine?
2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-4-amine has a molecular weight of 208.20 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 106194456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).