2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzoic acid

C14H13FN2O3 — CID 139519387

IUPAC2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzoic acid
SMILESCC(C)Oc1cncc(-c2ccc(C(=O)O)c(F)c2)n1
InChIInChI=1S/C14H13FN2O3/c1-8(2)20-13-7-16-6-12(17-13)9-3-4-10(14(18)19)11(15)5-9/h3-8H,1-2H3,(H,18,19)
InChIKeyLKILHKCJCZSORV-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.77
Rot. Bonds4

About 2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzoic acid

2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzoic acid (PubChem CID 139519387) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzoic acid
PubChem CID139519387
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzoic acid
SMILESCC(C)Oc1cncc(-c2ccc(C(=O)O)c(F)c2)n1
InChIInChI=1S/C14H13FN2O3/c1-8(2)20-13-7-16-6-12(17-13)9-3-4-10(14(18)19)11(15)5-9/h3-8H,1-2H3,(H,18,19)
InChIKeyLKILHKCJCZSORV-UHFFFAOYSA-N
XLogP2.77
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]propyl]-2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzamide
CID 150710121
6-propan-2-yloxypyrazine-2-carboxylic acid
CID 65440453
2-chloro-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxylic acid
CID 121254066
methyl 4-(6-ethylpyrazin-2-yl)-2-fluorobenzoate
CID 147521974
6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69038091
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139503546
4-(2-acetylphenyl)-2-fluorobenzoic acid
CID 70699728
5-(3-fluoro-4-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53224143
2-chloro-6-propan-2-yloxypyridine-3-carboxylic acid
CID 86618835
2-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methoxypyrazine
CID 135293576
2-(3-fluoro-4-methoxyphenyl)-6-phenylmethoxypyrazine
CID 167980981
3-fluoro-2-methoxy-4-(5-propan-2-yloxy-3-pyridinyl)benzoic acid
CID 167806824

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzoic acid?
The IUPAC name of 2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzoic acid (CID 139519387) is 2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzoic acid.
What is the SMILES notation for 2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzoic acid?
The canonical SMILES for 2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzoic acid is CC(C)Oc1cncc(-c2ccc(C(=O)O)c(F)c2)n1.
What is the InChIKey of 2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzoic acid?
The InChIKey is LKILHKCJCZSORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-8(2)20-13-7-16-6-12(17-13)9-3-4-10(14(18)19)11(15)5-9/h3-8H,1-2H3,(H,18,19).
What are the key properties of 2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzoic acid?
2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzoic acid has a molecular weight of 276.27 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzoic acid is sourced from PubChem (CID 139519387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).