2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetic acid

C10H8FN3O2 — CID 151787483

IUPAC2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C10H8FN3O2/c11-8-5-13-14(6-8)9-2-1-7(4-12-9)3-10(15)16/h1-2,4-6H,3H2,(H,15,16)
InChIKeyRVXNKZLVPGFQFB-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.03
Rot. Bonds3

About 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetic acid

2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetic acid (PubChem CID 151787483) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetic acid
PubChem CID151787483
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(-n2cc(F)cn2)nc1
InChIInChI=1S/C10H8FN3O2/c11-8-5-13-14(6-8)9-2-1-7(4-12-9)3-10(15)16/h1-2,4-6H,3H2,(H,15,16)
InChIKeyRVXNKZLVPGFQFB-UHFFFAOYSA-N
XLogP1.03
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-(2,4-difluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901615
2-(5-(3-fluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 76901616
2-(5-phenyl-1H-pyrazol-1-yl)isonicotinic acid
CID 86725498
2-(5-(3,4-difluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 90205111
2-(5-(4-fluorophenyl)-1H-pyrazol-1-yl)isonicotinic acid
CID 90205512
2-(5-methyl-1H-pyrazol-1-yl)isonicotinic acid
CID 84777128
2-[4-[2-[(4-Fluorophenyl)methyl-methylamino]ethyl]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 86725666
2-(5-butyl-1H-pyrazol-1-yl)isonicotinic acid
CID 90205218
2-(3-benzyl-1H-pyrazol-1-yl)isonicotinic acid
CID 90205430
2-(5-benzyl-1H-pyrazol-1-yl)isonicotinic acid
CID 90205720
2-(3-butyl-1H-pyrazol-1-yl)pyridine-4-carboxylic acid
CID 90211018
1H-Pyrazole-4-acetic acid, 1-phenyl-5-(1H-pyrrol-1-yl)-
CID 3087987

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetic acid (CID 151787483) is 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetic acid is O=C(O)Cc1ccc(-n2cc(F)cn2)nc1.
What is the InChIKey of 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetic acid?
The InChIKey is RVXNKZLVPGFQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-8-5-13-14(6-8)9-2-1-7(4-12-9)3-10(15)16/h1-2,4-6H,3H2,(H,15,16).
What are the key properties of 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetic acid?
2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetic acid has a molecular weight of 221.19 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 151787483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).