5-[2-[4-(acetamidomethyl)-2,3-difluorophenyl]ethyl]pyridine-3-carboxylic acid

C17H16F2N2O3 — CID 174819806

IUPAC5-[2-[4-(acetamidomethyl)-2,3-difluorophenyl]ethyl]pyridine-3-carboxylic acid
SMILESCC(=O)NCc1ccc(CCc2cncc(C(=O)O)c2)c(F)c1F
InChIInChI=1S/C17H16F2N2O3/c1-10(22)21-9-13-5-4-12(15(18)16(13)19)3-2-11-6-14(17(23)24)8-20-7-11/h4-8H,2-3,9H2,1H3,(H,21,22)(H,23,24)
InChIKeyRUDSBFUMOJHQEE-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.48
Rot. Bonds6

About 5-[2-[4-(acetamidomethyl)-2,3-difluorophenyl]ethyl]pyridine-3-carboxylic acid

5-[2-[4-(acetamidomethyl)-2,3-difluorophenyl]ethyl]pyridine-3-carboxylic acid (PubChem CID 174819806) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is 5-[2-[4-(acetamidomethyl)-2,3-difluorophenyl]ethyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-[4-(acetamidomethyl)-2,3-difluorophenyl]ethyl]pyridine-3-carboxylic acid
PubChem CID174819806
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name5-[2-[4-(acetamidomethyl)-2,3-difluorophenyl]ethyl]pyridine-3-carboxylic acid
SMILESCC(=O)NCc1ccc(CCc2cncc(C(=O)O)c2)c(F)c1F
InChIInChI=1S/C17H16F2N2O3/c1-10(22)21-9-13-5-4-12(15(18)16(13)19)3-2-11-6-14(17(23)24)8-20-7-11/h4-8H,2-3,9H2,1H3,(H,21,22)(H,23,24)
InChIKeyRUDSBFUMOJHQEE-UHFFFAOYSA-N
XLogP2.48
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(chloromethyl)-2,3-difluorophenyl]methyl]acetamide
CID 118212780
N-[(4-ethyl-2,3-difluorophenyl)methyl]acetamide
CID 123262796
5-[[4-(acetamidomethyl)-2,3-difluorophenyl]methyl]-N-[[5-[(E)-1-chloroprop-1-enyl]-4-ethyl-2-fluorophenyl]methyl]pyridine-3-carboxamide
CID 144881286
5-[[4-(acetamidomethyl)-2,3-difluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide
CID 118212905
5-(2-bromoethyl)pyridine-3-carboxylic acid
CID 174535680
5-[[4-(acetamidomethyl)-2,3-difluorophenyl]methyl]-N-[2-(2-amino-5-chlorophenyl)-2-iminoethyl]pyridine-3-carboxamide
CID 144881066
5-(methylsulfanylmethyl)pyridine-3-carboxylic acid
CID 117212726
ethane;N-[(3-fluoro-4-pyridinyl)methyl]acetamide
CID 171522941
5-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
CID 139034068
5-[[4-(acetamidomethyl)-2-fluorophenyl]methyl]-N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]pyridine-3-carboxamide
CID 118213110
N-[(2,3,5-trifluoro-4-hydroxyphenyl)methyl]acetamide
CID 142776330
5-[(4-fluorophenoxy)methyl]pyridine-3-carboxylic acid
CID 117212713

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(acetamidomethyl)-2,3-difluorophenyl]ethyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[2-[4-(acetamidomethyl)-2,3-difluorophenyl]ethyl]pyridine-3-carboxylic acid (CID 174819806) is 5-[2-[4-(acetamidomethyl)-2,3-difluorophenyl]ethyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-[4-(acetamidomethyl)-2,3-difluorophenyl]ethyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-[4-(acetamidomethyl)-2,3-difluorophenyl]ethyl]pyridine-3-carboxylic acid is CC(=O)NCc1ccc(CCc2cncc(C(=O)O)c2)c(F)c1F.
What is the InChIKey of 5-[2-[4-(acetamidomethyl)-2,3-difluorophenyl]ethyl]pyridine-3-carboxylic acid?
The InChIKey is RUDSBFUMOJHQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-10(22)21-9-13-5-4-12(15(18)16(13)19)3-2-11-6-14(17(23)24)8-20-7-11/h4-8H,2-3,9H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 5-[2-[4-(acetamidomethyl)-2,3-difluorophenyl]ethyl]pyridine-3-carboxylic acid?
5-[2-[4-(acetamidomethyl)-2,3-difluorophenyl]ethyl]pyridine-3-carboxylic acid has a molecular weight of 334.32 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(acetamidomethyl)-2,3-difluorophenyl]ethyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 174819806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).