3-fluoro-2-methoxy-4-(5-propan-2-yloxy-3-pyridinyl)benzoic acid

C16H16FNO4 — CID 167806824

IUPAC3-fluoro-2-methoxy-4-(5-propan-2-yloxy-3-pyridinyl)benzoic acid
SMILESCOc1c(C(=O)O)ccc(-c2cncc(OC(C)C)c2)c1F
InChIInChI=1S/C16H16FNO4/c1-9(2)22-11-6-10(7-18-8-11)12-4-5-13(16(19)20)15(21-3)14(12)17/h4-9H,1-3H3,(H,19,20)
InChIKeyDERXAMUVBXRHQT-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.38
Rot. Bonds5

About 3-fluoro-2-methoxy-4-(5-propan-2-yloxy-3-pyridinyl)benzoic acid

3-fluoro-2-methoxy-4-(5-propan-2-yloxy-3-pyridinyl)benzoic acid (PubChem CID 167806824) has the molecular formula C16H16FNO4 and a molecular weight of 305.31 g/mol. Its IUPAC name is 3-fluoro-2-methoxy-4-(5-propan-2-yloxy-3-pyridinyl)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-methoxy-4-(5-propan-2-yloxy-3-pyridinyl)benzoic acid
PubChem CID167806824
Molecular FormulaC16H16FNO4
Molecular Weight305.31 g/mol
Exact Mass305.11
IUPAC Name3-fluoro-2-methoxy-4-(5-propan-2-yloxy-3-pyridinyl)benzoic acid
SMILESCOc1c(C(=O)O)ccc(-c2cncc(OC(C)C)c2)c1F
InChIInChI=1S/C16H16FNO4/c1-9(2)22-11-6-10(7-18-8-11)12-4-5-13(16(19)20)15(21-3)14(12)17/h4-9H,1-3H3,(H,19,20)
InChIKeyDERXAMUVBXRHQT-UHFFFAOYSA-N
XLogP3.38
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-3-(5-propan-2-yloxy-3-pyridinyl)benzoic acid
CID 107957496
3-[5-fluoro-2-(5-propan-2-yloxy-3-pyridinyl)phenyl]propanoic acid
CID 139019060
2,3-difluoro-4-(4-methoxyphenyl)benzoic acid
CID 19911004
5-propan-2-yloxy-2-(2,4,5-trifluorophenyl)benzoic acid
CID 172651642
(3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794555
2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)benzoic acid
CID 139519387
6-methoxy-1-propan-2-yloxynaphthalene-2-carboxylic acid
CID 14256753
2,5-dichloro-4-(5-propan-2-yloxy-3-pyridinyl)phenol
CID 107663406
4-(3,5-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53229470
4-(4-carboxyphenyl)-2,3-di(propan-2-yloxy)benzoic acid
CID 141179122
2-fluoro-3-(5-fluoro-3-pyridinyl)benzoic acid
CID 107957127
5-(2,3,4-trimethoxyphenyl)pyridine-3-carboxylic acid
CID 39233473

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methoxy-4-(5-propan-2-yloxy-3-pyridinyl)benzoic acid?
The IUPAC name of 3-fluoro-2-methoxy-4-(5-propan-2-yloxy-3-pyridinyl)benzoic acid (CID 167806824) is 3-fluoro-2-methoxy-4-(5-propan-2-yloxy-3-pyridinyl)benzoic acid.
What is the SMILES notation for 3-fluoro-2-methoxy-4-(5-propan-2-yloxy-3-pyridinyl)benzoic acid?
The canonical SMILES for 3-fluoro-2-methoxy-4-(5-propan-2-yloxy-3-pyridinyl)benzoic acid is COc1c(C(=O)O)ccc(-c2cncc(OC(C)C)c2)c1F.
What is the InChIKey of 3-fluoro-2-methoxy-4-(5-propan-2-yloxy-3-pyridinyl)benzoic acid?
The InChIKey is DERXAMUVBXRHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4/c1-9(2)22-11-6-10(7-18-8-11)12-4-5-13(16(19)20)15(21-3)14(12)17/h4-9H,1-3H3,(H,19,20).
What are the key properties of 3-fluoro-2-methoxy-4-(5-propan-2-yloxy-3-pyridinyl)benzoic acid?
3-fluoro-2-methoxy-4-(5-propan-2-yloxy-3-pyridinyl)benzoic acid has a molecular weight of 305.31 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxy-4-(5-propan-2-yloxy-3-pyridinyl)benzoic acid is sourced from PubChem (CID 167806824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).