1-[2-[(3-fluoro-4-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid

C12H10FN3O3 — CID 107595265

IUPAC1-[2-[(3-fluoro-4-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESO=C(Cn1cccc1C(=O)O)Nc1ccncc1F
InChIInChI=1S/C12H10FN3O3/c13-8-6-14-4-3-9(8)15-11(17)7-16-5-1-2-10(16)12(18)19/h1-6H,7H2,(H,18,19)(H,14,15,17)
InChIKeyBYDHVORRDTWDJK-UHFFFAOYSA-N
MW263.23 g/mol
LogP1.36
Rot. Bonds4

About 1-[2-[(3-fluoro-4-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid

1-[2-[(3-fluoro-4-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 107595265) has the molecular formula C12H10FN3O3 and a molecular weight of 263.23 g/mol. Its IUPAC name is 1-[2-[(3-fluoro-4-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3-fluoro-4-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
PubChem CID107595265
Molecular FormulaC12H10FN3O3
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC Name1-[2-[(3-fluoro-4-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESO=C(Cn1cccc1C(=O)O)Nc1ccncc1F
InChIInChI=1S/C12H10FN3O3/c13-8-6-14-4-3-9(8)15-11(17)7-16-5-1-2-10(16)12(18)19/h1-6H,7H2,(H,18,19)(H,14,15,17)
InChIKeyBYDHVORRDTWDJK-UHFFFAOYSA-N
XLogP1.36
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-(2,4,5-trifluoroanilino)ethyl]pyrrole-2-carboxylic acid
CID 79324400
2-(5-amino-2-oxo-1-pyridinyl)-N-(3-fluoro-4-pyridinyl)acetamide
CID 107594614
1-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]pyrrole-2-carboxylic acid
CID 79325398
1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 114957290
1-[2-[(2-methyl-4-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325428
1-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]pyrrole-2-carboxylic acid
CID 79325040
1-[2-(2-chloro-4-iodoanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 107605953
1-[2-(2,6-dimethylanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325397
N-(3-fluoro-4-pyridinyl)-2-(2-hydroxyphenyl)acetamide
CID 113342447
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325322
1-[2-(3-iodoanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325105
1-[2-(3,5-dichloroanilino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325609

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-fluoro-4-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-[(3-fluoro-4-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid (CID 107595265) is 1-[2-[(3-fluoro-4-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-[(3-fluoro-4-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-[(3-fluoro-4-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid is O=C(Cn1cccc1C(=O)O)Nc1ccncc1F.
What is the InChIKey of 1-[2-[(3-fluoro-4-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The InChIKey is BYDHVORRDTWDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3/c13-8-6-14-4-3-9(8)15-11(17)7-16-5-1-2-10(16)12(18)19/h1-6H,7H2,(H,18,19)(H,14,15,17).
What are the key properties of 1-[2-[(3-fluoro-4-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid?
1-[2-[(3-fluoro-4-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 263.23 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-fluoro-4-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 107595265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).