methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate

C10H10ClF2NO3 — CID 134663537

IUPACmethyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc(OC)c(Cl)c1C(F)F
InChIInChI=1S/C10H10ClF2NO3/c1-16-6(15)3-5-4-14-10(17-2)8(11)7(5)9(12)13/h4,9H,3H2,1-2H3
InChIKeySFCUSWUUQYJVGP-UHFFFAOYSA-N
MW265.64 g/mol
LogP2.40
Rot. Bonds4

About methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate

methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate (PubChem CID 134663537) has the molecular formula C10H10ClF2NO3 and a molecular weight of 265.64 g/mol. Its IUPAC name is methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
PubChem CID134663537
Molecular FormulaC10H10ClF2NO3
Molecular Weight265.64 g/mol
Exact Mass265.03
IUPAC Namemethyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cnc(OC)c(Cl)c1C(F)F
InChIInChI=1S/C10H10ClF2NO3/c1-16-6(15)3-5-4-14-10(17-2)8(11)7(5)9(12)13/h4,9H,3H2,1-2H3
InChIKeySFCUSWUUQYJVGP-UHFFFAOYSA-N
XLogP2.40
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.64
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-amino-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683805
methyl 2-[6-bromo-4-chloro-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134673608
methyl 2-[6-(chloromethyl)-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133101974
ethyl 2-[4-(difluoromethyl)-5-hydroxy-6-methoxy-3-pyridinyl]acetate
CID 133103446
3,5-dichloro-4-(difluoromethyl)-2-methoxypyridine
CID 130099252
methyl 2-[3,5-dichloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134683841
methyl 2-[6-bromo-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134674905
methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 133085269
methyl 2-[6-amino-5-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134677170
methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate
CID 134661750
2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid
CID 134684702
3-chloro-4-(difluoromethyl)-2-methoxy-5-methylpyridine
CID 130073666

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate (CID 134663537) is methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate is COC(=O)Cc1cnc(OC)c(Cl)c1C(F)F.
What is the InChIKey of methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate?
The InChIKey is SFCUSWUUQYJVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO3/c1-16-6(15)3-5-4-14-10(17-2)8(11)7(5)9(12)13/h4,9H,3H2,1-2H3.
What are the key properties of methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate?
methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate has a molecular weight of 265.64 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-chloro-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate is sourced from PubChem (CID 134663537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).