methyl 2-[6-chloro-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetate

C10H7ClF2N2O2 — CID 134685308

IUPACmethyl 2-[6-chloro-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C#N)c(Cl)nc1C(F)F
InChIInChI=1S/C10H7ClF2N2O2/c1-17-7(16)3-5-2-6(4-14)9(11)15-8(5)10(12)13/h2,10H,3H2,1H3
InChIKeyFJGAQBWRLWDKDA-UHFFFAOYSA-N
MW260.63 g/mol
LogP2.26
Rot. Bonds3

About methyl 2-[6-chloro-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetate

methyl 2-[6-chloro-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetate (PubChem CID 134685308) has the molecular formula C10H7ClF2N2O2 and a molecular weight of 260.63 g/mol. Its IUPAC name is methyl 2-[6-chloro-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-chloro-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetate
PubChem CID134685308
Molecular FormulaC10H7ClF2N2O2
Molecular Weight260.63 g/mol
Exact Mass260.02
IUPAC Namemethyl 2-[6-chloro-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C#N)c(Cl)nc1C(F)F
InChIInChI=1S/C10H7ClF2N2O2/c1-17-7(16)3-5-2-6(4-14)9(11)15-8(5)10(12)13/h2,10H,3H2,1H3
InChIKeyFJGAQBWRLWDKDA-UHFFFAOYSA-N
XLogP2.26
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.63
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[5-amino-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 133088395
methyl 2-[6-chloro-5-(chloromethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134672190
methyl 2-[5-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134674550
methyl 2-[5-(bromomethyl)-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetate
CID 133107532
methyl 2-[3-chloro-6-cyano-2-(difluoromethyl)-4-pyridinyl]acetate
CID 134684415
ethyl 2-[5-cyano-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133091237
methyl 2-chloro-5-cyano-6-(difluoromethyl)pyridine-3-carboxylate
CID 130071371
2-chloro-6-(difluoromethyl)-5-methoxypyridine-3-carbonitrile
CID 119019871
ethyl 6-chloro-5-cyano-2-(difluoromethyl)pyridine-3-carboxylate
CID 86618293
methyl 2-[3-cyano-6-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 133106301
methyl 2-[6-amino-5-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134683935
methyl 2-[5-cyano-4-(difluoromethyl)-2-ethylphenyl]acetate
CID 134613383

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-chloro-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-chloro-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetate (CID 134685308) is methyl 2-[6-chloro-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-chloro-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-chloro-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetate is COC(=O)Cc1cc(C#N)c(Cl)nc1C(F)F.
What is the InChIKey of methyl 2-[6-chloro-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetate?
The InChIKey is FJGAQBWRLWDKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2O2/c1-17-7(16)3-5-2-6(4-14)9(11)15-8(5)10(12)13/h2,10H,3H2,1H3.
What are the key properties of methyl 2-[6-chloro-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetate?
methyl 2-[6-chloro-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetate has a molecular weight of 260.63 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-chloro-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 134685308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).