6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]pyridine-3-carboxylic acid

C16H14FNO3 — CID 157386377

IUPAC6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]pyridine-3-carboxylic acid
SMILESCC1(c2ccc(Oc3ccc(C(=O)O)cn3)c(F)c2)CC1
InChIInChI=1S/C16H14FNO3/c1-16(6-7-16)11-3-4-13(12(17)8-11)21-14-5-2-10(9-18-14)15(19)20/h2-5,8-9H,6-7H2,1H3,(H,19,20)
InChIKeyBLMFEPBNKLYXGJ-UHFFFAOYSA-N
MW287.29 g/mol
LogP3.76
Rot. Bonds4

About 6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]pyridine-3-carboxylic acid

6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]pyridine-3-carboxylic acid (PubChem CID 157386377) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is 6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]pyridine-3-carboxylic acid
PubChem CID157386377
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]pyridine-3-carboxylic acid
SMILESCC1(c2ccc(Oc3ccc(C(=O)O)cn3)c(F)c2)CC1
InChIInChI=1S/C16H14FNO3/c1-16(6-7-16)11-3-4-13(12(17)8-11)21-14-5-2-10(9-18-14)15(19)20/h2-5,8-9H,6-7H2,1H3,(H,19,20)
InChIKeyBLMFEPBNKLYXGJ-UHFFFAOYSA-N
XLogP3.76
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]-3-pyridinyl]-2-hydroxyethanone
CID 161152364
6-[2-fluoro-4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]-N,N-dimethylpyridine-3-carboxamide
CID 142414873
6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784195
6-(2-fluoro-5-methyl-4-nitrophenoxy)pyridine-3-carboxylic acid
CID 114416376
4-[(5-fluoro-2-pyridinyl)oxy]-3-methylbenzoic acid
CID 107672839
1-[6-[4-[1-(1,1-difluoroethyl)cyclopropyl]-2-methylphenoxy]-3-pyridinyl]ethanone
CID 158968389
6-(4-fluoro-2-nitrophenoxy)pyridine-3-carboxylic acid
CID 62369990
6-[4-(tert-butylamino)-2-fluorophenoxy]pyridine-3-carboxamide
CID 174431002
6-(2,3,5-trimethylphenoxy)pyridine-3-carboxylic acid
CID 28933532
methyl 4-[(5-amino-2-pyridinyl)oxy]-3-fluorobenzoate
CID 68524349
6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 43589848
6-[2-(hydroxymethyl)phenoxy]pyridine-3-carboxylic acid
CID 55245031

Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]pyridine-3-carboxylic acid (CID 157386377) is 6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]pyridine-3-carboxylic acid is CC1(c2ccc(Oc3ccc(C(=O)O)cn3)c(F)c2)CC1.
What is the InChIKey of 6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]pyridine-3-carboxylic acid?
The InChIKey is BLMFEPBNKLYXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c1-16(6-7-16)11-3-4-13(12(17)8-11)21-14-5-2-10(9-18-14)15(19)20/h2-5,8-9H,6-7H2,1H3,(H,19,20).
What are the key properties of 6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]pyridine-3-carboxylic acid?
6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]pyridine-3-carboxylic acid has a molecular weight of 287.29 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-4-(1-methylcyclopropyl)phenoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 157386377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).