2-(3-chloro-5-fluoro-2-pyridinyl)-2,2-difluoroacetic acid

C7H3ClF3NO2 — CID 170918339

IUPAC2-(3-chloro-5-fluoro-2-pyridinyl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)c1ncc(F)cc1Cl
InChIInChI=1S/C7H3ClF3NO2/c8-4-1-3(9)2-12-5(4)7(10,11)6(13)14/h1-2H,(H,13,14)
InChIKeySEDSVYYFMQLDOB-UHFFFAOYSA-N
MW225.55 g/mol
LogP2.05
Rot. Bonds2

About 2-(3-chloro-5-fluoro-2-pyridinyl)-2,2-difluoroacetic acid

2-(3-chloro-5-fluoro-2-pyridinyl)-2,2-difluoroacetic acid (PubChem CID 170918339) has the molecular formula C7H3ClF3NO2 and a molecular weight of 225.55 g/mol. Its IUPAC name is 2-(3-chloro-5-fluoro-2-pyridinyl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(3-chloro-5-fluoro-2-pyridinyl)-2,2-difluoroacetic acid
PubChem CID170918339
Molecular FormulaC7H3ClF3NO2
Molecular Weight225.55 g/mol
Exact Mass224.98
IUPAC Name2-(3-chloro-5-fluoro-2-pyridinyl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)c1ncc(F)cc1Cl
InChIInChI=1S/C7H3ClF3NO2/c8-4-1-3(9)2-12-5(4)7(10,11)6(13)14/h1-2H,(H,13,14)
InChIKeySEDSVYYFMQLDOB-UHFFFAOYSA-N
XLogP2.05
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.55
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Pyridineacetic acid, hydrochloride (1:1)
CID 85317
2-Pyridineacetic acid
CID 85318
1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate
CID 1490205
2-(5-Chloropyridin-2-yl)acetic acid
CID 46737473
Methyl 2-(4-chloropyridin-2-yl)acetate
CID 52982818
3-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]propanoic acid
CID 1476267
5-Chloro-3-fluoropyridine-2-carboxylic acid
CID 11769070
2-(6-Chloropyridin-2-yl)acetic acid
CID 17750072
Ethyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)acetate
CID 50998866
2-(3-Fluoro-2-pyridyl)acetic Acid
CID 53429062
(5-Fluoropyridin-2-yl)acetic acid
CID 55267809
2-(3,5-Difluoropyridin-2-yl)acetic acid
CID 55267813

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluoro-2-pyridinyl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(3-chloro-5-fluoro-2-pyridinyl)-2,2-difluoroacetic acid (CID 170918339) is 2-(3-chloro-5-fluoro-2-pyridinyl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(3-chloro-5-fluoro-2-pyridinyl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(3-chloro-5-fluoro-2-pyridinyl)-2,2-difluoroacetic acid is O=C(O)C(F)(F)c1ncc(F)cc1Cl.
What is the InChIKey of 2-(3-chloro-5-fluoro-2-pyridinyl)-2,2-difluoroacetic acid?
The InChIKey is SEDSVYYFMQLDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF3NO2/c8-4-1-3(9)2-12-5(4)7(10,11)6(13)14/h1-2H,(H,13,14).
What are the key properties of 2-(3-chloro-5-fluoro-2-pyridinyl)-2,2-difluoroacetic acid?
2-(3-chloro-5-fluoro-2-pyridinyl)-2,2-difluoroacetic acid has a molecular weight of 225.55 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluoro-2-pyridinyl)-2,2-difluoroacetic acid is sourced from PubChem (CID 170918339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).