5-fluoro-1-methyl-2-(1H-pyrazol-5-yl)-2H-pyridine

C9H10FN3 — CID 146613846

IUPAC5-fluoro-1-methyl-2-(1H-pyrazol-5-yl)-2H-pyridine
SMILESCN1C=C(F)C=CC1c1ccn[nH]1
InChIInChI=1S/C9H10FN3/c1-13-6-7(10)2-3-9(13)8-4-5-11-12-8/h2-6,9H,1H3,(H,11,12)
InChIKeyKKBVHNVHAYNUIG-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.76
Rot. Bonds1

About 5-fluoro-1-methyl-2-(1H-pyrazol-5-yl)-2H-pyridine

5-fluoro-1-methyl-2-(1H-pyrazol-5-yl)-2H-pyridine (PubChem CID 146613846) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is 5-fluoro-1-methyl-2-(1H-pyrazol-5-yl)-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-methyl-2-(1H-pyrazol-5-yl)-2H-pyridine
PubChem CID146613846
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name5-fluoro-1-methyl-2-(1H-pyrazol-5-yl)-2H-pyridine
SMILESCN1C=C(F)C=CC1c1ccn[nH]1
InChIInChI=1S/C9H10FN3/c1-13-6-7(10)2-3-9(13)8-4-5-11-12-8/h2-6,9H,1H3,(H,11,12)
InChIKeyKKBVHNVHAYNUIG-UHFFFAOYSA-N
XLogP1.76
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-2-(1H-pyrazol-5-yl)-2H-pyridine?
The IUPAC name of 5-fluoro-1-methyl-2-(1H-pyrazol-5-yl)-2H-pyridine (CID 146613846) is 5-fluoro-1-methyl-2-(1H-pyrazol-5-yl)-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-methyl-2-(1H-pyrazol-5-yl)-2H-pyridine?
The canonical SMILES for 5-fluoro-1-methyl-2-(1H-pyrazol-5-yl)-2H-pyridine is CN1C=C(F)C=CC1c1ccn[nH]1.
What is the InChIKey of 5-fluoro-1-methyl-2-(1H-pyrazol-5-yl)-2H-pyridine?
The InChIKey is KKBVHNVHAYNUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3/c1-13-6-7(10)2-3-9(13)8-4-5-11-12-8/h2-6,9H,1H3,(H,11,12).
What are the key properties of 5-fluoro-1-methyl-2-(1H-pyrazol-5-yl)-2H-pyridine?
5-fluoro-1-methyl-2-(1H-pyrazol-5-yl)-2H-pyridine has a molecular weight of 179.20 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-2-(1H-pyrazol-5-yl)-2H-pyridine is sourced from PubChem (CID 146613846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).