2-(3-fluoroanilino)-2-(6-methoxy-3-pyridinyl)acetic acid

C14H13FN2O3 — CID 58557019

IUPAC2-(3-fluoroanilino)-2-(6-methoxy-3-pyridinyl)acetic acid
SMILESCOc1ccc(C(Nc2cccc(F)c2)C(=O)O)cn1
InChIInChI=1S/C14H13FN2O3/c1-20-12-6-5-9(8-16-12)13(14(18)19)17-11-4-2-3-10(15)7-11/h2-8,13,17H,1H3,(H,18,19)
InChIKeyOYHSLOWVJQFRAT-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.47
Rot. Bonds5

About 2-(3-fluoroanilino)-2-(6-methoxy-3-pyridinyl)acetic acid

2-(3-fluoroanilino)-2-(6-methoxy-3-pyridinyl)acetic acid (PubChem CID 58557019) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-2-(6-methoxy-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-fluoroanilino)-2-(6-methoxy-3-pyridinyl)acetic acid
PubChem CID58557019
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name2-(3-fluoroanilino)-2-(6-methoxy-3-pyridinyl)acetic acid
SMILESCOc1ccc(C(Nc2cccc(F)c2)C(=O)O)cn1
InChIInChI=1S/C14H13FN2O3/c1-20-12-6-5-9(8-16-12)13(14(18)19)17-11-4-2-3-10(15)7-11/h2-8,13,17H,1H3,(H,18,19)
InChIKeyOYHSLOWVJQFRAT-UHFFFAOYSA-N
XLogP2.47
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methoxy-3-pyridineacetic acid
CID 11953492
2-(2-fluorophenyl)-N-(6-methoxypyridin-3-yl)acetamide
CID 4799433
2,2-Difluoro-2-(6-methoxypyridin-3-yl)acetic acid
CID 132353916
5-[(3-Methoxyphenyl)methylamino]pyridine-2-carboxylic acid
CID 12640167
5-[(3-Fluoro-4-methoxyphenyl)methylamino]pyridine-2-carboxylic acid
CID 12640178
(2,6-Dimethoxypyridin-3-YL)[4-(4-fluorophenyl)piperazin-1-YL]acetic acid
CID 72847162
2-(4-Cyclohexyl-1,4-diazepan-1-yl)-2-(6-methoxy-3-pyridinyl)acetic acid
CID 72877130
2-[4-(3-Methoxyphenyl)piperazin-1-yl]-2-(6-methoxy-3-pyridinyl)acetic acid
CID 72881454
3-(5-(Benzyloxy)-2-pyridinyl)alanine
CID 385339
methyl (2S,4R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-(4-fluoroanilino)-4-(6-methoxy-3-pyridinyl)butanoate
CID 146165356
methyl (2S)-6,6-difluoro-5-(6-methoxy-3-pyridinyl)-2-(methylamino)hex-5-enoate
CID 162405133
4-(2-Methoxyanilino)-4-oxo-2-[(3-pyridinylmethyl)amino]butanoic acid
CID 4548885

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-2-(6-methoxy-3-pyridinyl)acetic acid?
The IUPAC name of 2-(3-fluoroanilino)-2-(6-methoxy-3-pyridinyl)acetic acid (CID 58557019) is 2-(3-fluoroanilino)-2-(6-methoxy-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-fluoroanilino)-2-(6-methoxy-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-fluoroanilino)-2-(6-methoxy-3-pyridinyl)acetic acid is COc1ccc(C(Nc2cccc(F)c2)C(=O)O)cn1.
What is the InChIKey of 2-(3-fluoroanilino)-2-(6-methoxy-3-pyridinyl)acetic acid?
The InChIKey is OYHSLOWVJQFRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c1-20-12-6-5-9(8-16-12)13(14(18)19)17-11-4-2-3-10(15)7-11/h2-8,13,17H,1H3,(H,18,19).
What are the key properties of 2-(3-fluoroanilino)-2-(6-methoxy-3-pyridinyl)acetic acid?
2-(3-fluoroanilino)-2-(6-methoxy-3-pyridinyl)acetic acid has a molecular weight of 276.27 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-2-(6-methoxy-3-pyridinyl)acetic acid is sourced from PubChem (CID 58557019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).