2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid

C10H8F2N2O3 — CID 134664652

IUPAC2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid
SMILESCOc1c(CC(=O)O)cnc(C#N)c1C(F)F
InChIInChI=1S/C10H8F2N2O3/c1-17-9-5(2-7(15)16)4-14-6(3-13)8(9)10(11)12/h4,10H,2H2,1H3,(H,15,16)
InChIKeyYZXAMLUYSADLNV-UHFFFAOYSA-N
MW242.18 g/mol
LogP1.53
Rot. Bonds4

About 2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid

2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid (PubChem CID 134664652) has the molecular formula C10H8F2N2O3 and a molecular weight of 242.18 g/mol. Its IUPAC name is 2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid
PubChem CID134664652
Molecular FormulaC10H8F2N2O3
Molecular Weight242.18 g/mol
Exact Mass242.05
IUPAC Name2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid
SMILESCOc1c(CC(=O)O)cnc(C#N)c1C(F)F
InChIInChI=1S/C10H8F2N2O3/c1-17-9-5(2-7(15)16)4-14-6(3-13)8(9)10(11)12/h4,10H,2H2,1H3,(H,15,16)
InChIKeyYZXAMLUYSADLNV-UHFFFAOYSA-N
XLogP1.53
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid
CID 133105323
2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118840121
3-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbonitrile
CID 118992378
2-[4-(chloromethyl)-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118807262
2-[6-cyano-5-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 133106191
2-[4-(bromomethyl)-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 133106774
2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid
CID 134684702
2-[2-cyano-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid
CID 130078441
methyl 2-[4-bromo-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134685267
4-(difluoromethyl)-5-hydroxy-3-methoxypyridine-2-carbonitrile
CID 119021849
methyl 2-[6-cyano-4-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134675623
methyl 2-[2-cyano-3-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetate
CID 134672356

Frequently Asked Questions

What is the IUPAC name of 2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid (CID 134664652) is 2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid is COc1c(CC(=O)O)cnc(C#N)c1C(F)F.
What is the InChIKey of 2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid?
The InChIKey is YZXAMLUYSADLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O3/c1-17-9-5(2-7(15)16)4-14-6(3-13)8(9)10(11)12/h4,10H,2H2,1H3,(H,15,16).
What are the key properties of 2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid?
2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid has a molecular weight of 242.18 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid is sourced from PubChem (CID 134664652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).