2-[3-fluoro-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid

C13H7Cl3FNO2 — CID 134637597

IUPAC2-[3-fluoro-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccnc(-c2c(Cl)ccc(Cl)c2Cl)c1F
InChIInChI=1S/C13H7Cl3FNO2/c14-7-1-2-8(15)11(16)10(7)13-12(17)6(3-4-18-13)5-9(19)20/h1-4H,5H2,(H,19,20)
InChIKeyGZCRPBGYEFXACO-UHFFFAOYSA-N
MW334.56 g/mol
LogP4.47
Rot. Bonds3

About 2-[3-fluoro-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid

2-[3-fluoro-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid (PubChem CID 134637597) has the molecular formula C13H7Cl3FNO2 and a molecular weight of 334.56 g/mol. Its IUPAC name is 2-[3-fluoro-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid
PubChem CID134637597
Molecular FormulaC13H7Cl3FNO2
Molecular Weight334.56 g/mol
Exact Mass332.95
IUPAC Name2-[3-fluoro-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccnc(-c2c(Cl)ccc(Cl)c2Cl)c1F
InChIInChI=1S/C13H7Cl3FNO2/c14-7-1-2-8(15)11(16)10(7)13-12(17)6(3-4-18-13)5-9(19)20/h1-4H,5H2,(H,19,20)
InChIKeyGZCRPBGYEFXACO-UHFFFAOYSA-N
XLogP4.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.56
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(2,3,6-trichlorophenyl)pyridine-4-carboxylic acid
CID 134637312
2-(3,4-dichloro-2-pyridinyl)acetic acid
CID 130838385
2-[5,6-bis(2,3,6-trichlorophenyl)-2-pyridinyl]acetic acid
CID 134637234
2-[3-chloro-2-(2,4-dichlorophenyl)-4-pyridinyl]acetic acid
CID 133088248
2-(3-chloro-2-methyl-4-pyridinyl)acetic acid
CID 126972308
2-[5-amino-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134636998
1-[2-(3-chloro-2,4-difluorophenyl)-3-fluoro-4-pyridinyl]propan-2-one;ethane
CID 169264773
methyl 2-fluoro-3-(2,3,6-trichlorophenyl)pyridine-4-carboxylate
CID 133091002
2-(3-fluoro-4-methyl-2-pyridinyl)acetic acid
CID 130970296
2-[3-chloro-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 131611741
2-[5-fluoro-3-(2,3,4-trichlorophenyl)-2-pyridinyl]acetic acid
CID 133090411
2-[2-(2,4,6-trichlorophenyl)-3-pyridinyl]acetic acid
CID 118807954

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[3-fluoro-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid (CID 134637597) is 2-[3-fluoro-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-fluoro-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-fluoro-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid is O=C(O)Cc1ccnc(-c2c(Cl)ccc(Cl)c2Cl)c1F.
What is the InChIKey of 2-[3-fluoro-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid?
The InChIKey is GZCRPBGYEFXACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3FNO2/c14-7-1-2-8(15)11(16)10(7)13-12(17)6(3-4-18-13)5-9(19)20/h1-4H,5H2,(H,19,20).
What are the key properties of 2-[3-fluoro-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid?
2-[3-fluoro-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid has a molecular weight of 334.56 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 134637597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).