4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid

C10H8FN3O2 — CID 90382977

IUPAC4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(-c2ccc(F)cn2)c1C(=O)O
InChIInChI=1S/C10H8FN3O2/c1-14-9(10(15)16)7(5-13-14)8-3-2-6(11)4-12-8/h2-5H,1H3,(H,15,16)
InChIKeyRHJVMAGTPQIICY-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.32
Rot. Bonds2

About 4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid

4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 90382977) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid
PubChem CID90382977
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(-c2ccc(F)cn2)c1C(=O)O
InChIInChI=1S/C10H8FN3O2/c1-14-9(10(15)16)7(5-13-14)8-3-2-6(11)4-12-8/h2-5H,1H3,(H,15,16)
InChIKeyRHJVMAGTPQIICY-UHFFFAOYSA-N
XLogP1.32
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid (CID 90382977) is 4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid is Cn1ncc(-c2ccc(F)cn2)c1C(=O)O.
What is the InChIKey of 4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is RHJVMAGTPQIICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c1-14-9(10(15)16)7(5-13-14)8-3-2-6(11)4-12-8/h2-5H,1H3,(H,15,16).
What are the key properties of 4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid?
4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 221.19 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 90382977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).