4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid

C14H11FN2O3S — CID 63651197

IUPAC4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(CSc1ccccc1F)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C14H11FN2O3S/c15-10-3-1-2-4-12(10)21-8-13(18)17-9-5-6-16-11(7-9)14(19)20/h1-7H,8H2,(H,19,20)(H,16,17,18)
InChIKeySRBHMBZZMYAPRI-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.65
Rot. Bonds5

About 4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid

4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid (PubChem CID 63651197) has the molecular formula C14H11FN2O3S and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid
PubChem CID63651197
Molecular FormulaC14H11FN2O3S
Molecular Weight306.32 g/mol
Exact Mass306.05
IUPAC Name4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(CSc1ccccc1F)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C14H11FN2O3S/c15-10-3-1-2-4-12(10)21-8-13(18)17-9-5-6-16-11(7-9)14(19)20/h1-7H,8H2,(H,19,20)(H,16,17,18)
InChIKeySRBHMBZZMYAPRI-UHFFFAOYSA-N
XLogP2.65
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-benzylsulfanylacetyl)amino]pyridine-2-carboxylic acid
CID 63650192
4-[(2-fluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 63651767
4-(2-fluorophenyl)sulfanylpyridine-2-carboxylic acid
CID 43143103
2-(2-fluorophenyl)sulfanyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 52803481
N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591716
3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-methylbenzamide
CID 18202310
N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591885
4-(3-phenylpropanoylamino)pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167945350
2-(2-methylphenyl)sulfanyl-N-pyridin-4-ylacetamide
CID 4215609
2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 7965036
N-[4-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 2591517
2-(2-fluorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 31717118

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid (CID 63651197) is 4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid is O=C(CSc1ccccc1F)Nc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid?
The InChIKey is SRBHMBZZMYAPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S/c15-10-3-1-2-4-12(10)21-8-13(18)17-9-5-6-16-11(7-9)14(19)20/h1-7H,8H2,(H,19,20)(H,16,17,18).
What are the key properties of 4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid?
4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid has a molecular weight of 306.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-fluorophenyl)sulfanylacetyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63651197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).