methyl 2-(4-chloro-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate

C9H6ClF4NO2 — CID 24828891

IUPACmethyl 2-(4-chloro-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate
SMILESCOC(=O)C(F)(c1cc(Cl)ccn1)C(F)(F)F
InChIInChI=1S/C9H6ClF4NO2/c1-17-7(16)8(11,9(12,13)14)6-4-5(10)2-3-15-6/h2-4H,1H3
InChIKeyDHRVCADQXUPBBM-UHFFFAOYSA-N
MW271.60 g/mol
LogP2.64
Rot. Bonds2

About methyl 2-(4-chloro-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate

methyl 2-(4-chloro-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate (PubChem CID 24828891) has the molecular formula C9H6ClF4NO2 and a molecular weight of 271.60 g/mol. Its IUPAC name is methyl 2-(4-chloro-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate.

Molecular Properties

Compound Namemethyl 2-(4-chloro-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate
PubChem CID24828891
Molecular FormulaC9H6ClF4NO2
Molecular Weight271.60 g/mol
Exact Mass271.00
IUPAC Namemethyl 2-(4-chloro-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate
SMILESCOC(=O)C(F)(c1cc(Cl)ccn1)C(F)(F)F
InChIInChI=1S/C9H6ClF4NO2/c1-17-7(16)8(11,9(12,13)14)6-4-5(10)2-3-15-6/h2-4H,1H3
InChIKeyDHRVCADQXUPBBM-UHFFFAOYSA-N
XLogP2.64
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.60
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-chloro-2-pyridinyl)-2,2-difluoroacetate
CID 71143679
methyl 2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoro-2-[(3-methyl-2-pyridinyl)amino]propanoate
CID 5146392
methyl 4-chloro-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate
CID 45141626
2-tert-butyl-4-chloropyridine;phosphoryl trichloride
CID 87563896
(2R)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-ol
CID 97290499
methyl (2S)-2-(3-bromophenyl)-2,3,3,3-tetrafluoropropanoate
CID 125050386
methyl (2S)-2-amino-2-(4-methyl-2-pyridinyl)propanoate
CID 130689989
trans-methyl (1S,2S)-2-(4-chloro-2-pyridinyl)cyclopropane-1-carboxylate
CID 170693888
methyl 2-(3-chloroanilino)-3,3,3-trifluoro-2-methylpropanoate
CID 106523315
2-tert-butyl-6-(4-chloro-2-pyridinyl)-6,6-dimethoxy-2-methylhexanoic acid
CID 170547895
methyl (2S)-2,3,3,3-tetrafluoro-2-(4-phenylphenyl)propanoate
CID 98040440
methyl 2-[(3-chlorobenzoyl)amino]-3,3,3-trifluoro-2-(pyridin-2-ylamino)propanoate
CID 3337235

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chloro-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate?
The IUPAC name of methyl 2-(4-chloro-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate (CID 24828891) is methyl 2-(4-chloro-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate.
What is the SMILES notation for methyl 2-(4-chloro-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate?
The canonical SMILES for methyl 2-(4-chloro-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate is COC(=O)C(F)(c1cc(Cl)ccn1)C(F)(F)F.
What is the InChIKey of methyl 2-(4-chloro-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate?
The InChIKey is DHRVCADQXUPBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF4NO2/c1-17-7(16)8(11,9(12,13)14)6-4-5(10)2-3-15-6/h2-4H,1H3.
What are the key properties of methyl 2-(4-chloro-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate?
methyl 2-(4-chloro-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate has a molecular weight of 271.60 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chloro-2-pyridinyl)-2,3,3,3-tetrafluoropropanoate is sourced from PubChem (CID 24828891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).