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

C10H8F2N2O2 — CID 130078441

IUPAC2-[2-cyano-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid
SMILESCc1cnc(C#N)c(CC(=O)O)c1C(F)F
InChIInChI=1S/C10H8F2N2O2/c1-5-4-14-7(3-13)6(2-8(15)16)9(5)10(11)12/h4,10H,2H2,1H3,(H,15,16)
InChIKeyRHLUXZVRDQPHOZ-UHFFFAOYSA-N
MW226.18 g/mol
LogP1.83
Rot. Bonds3

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

2-[2-cyano-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid (PubChem CID 130078441) has the molecular formula C10H8F2N2O2 and a molecular weight of 226.18 g/mol. Its IUPAC name is 2-[2-cyano-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-cyano-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid
PubChem CID130078441
Molecular FormulaC10H8F2N2O2
Molecular Weight226.18 g/mol
Exact Mass226.06
IUPAC Name2-[2-cyano-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid
SMILESCc1cnc(C#N)c(CC(=O)O)c1C(F)F
InChIInChI=1S/C10H8F2N2O2/c1-5-4-14-7(3-13)6(2-8(15)16)9(5)10(11)12/h4,10H,2H2,1H3,(H,15,16)
InChIKeyRHLUXZVRDQPHOZ-UHFFFAOYSA-N
XLogP1.83
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(chloromethyl)-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118807262
2-[4-(bromomethyl)-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 133106774
2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118840121
2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid
CID 134664652
3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile
CID 130101091
2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetic acid
CID 118999569
2-[6-cyano-5-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 133106191
2-[2-amino-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid
CID 119023577
5-(bromomethyl)-6-cyano-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 130079002
methyl 2-[2-cyano-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 133106136
2-[2-cyano-5-(difluoromethyl)-3-nitro-4-pyridinyl]acetic acid
CID 119013916
5-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile
CID 130103592

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyano-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid?
The IUPAC name of 2-[2-cyano-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid (CID 130078441) is 2-[2-cyano-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-cyano-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-cyano-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid is Cc1cnc(C#N)c(CC(=O)O)c1C(F)F.
What is the InChIKey of 2-[2-cyano-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid?
The InChIKey is RHLUXZVRDQPHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2/c1-5-4-14-7(3-13)6(2-8(15)16)9(5)10(11)12/h4,10H,2H2,1H3,(H,15,16).
What are the key properties of 2-[2-cyano-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid?
2-[2-cyano-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid has a molecular weight of 226.18 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyano-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid is sourced from PubChem (CID 130078441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).