2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid

C8H7ClF2N2O2 — CID 134661764

IUPAC2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
SMILESNc1cc(CC(=O)O)c(Cl)c(C(F)F)n1
InChIInChI=1S/C8H7ClF2N2O2/c9-6-3(2-5(14)15)1-4(12)13-7(6)8(10)11/h1,8H,2H2,(H2,12,13)(H,14,15)
InChIKeyCDRIQVMKQIYANB-UHFFFAOYSA-N
MW236.60 g/mol
LogP1.88
Rot. Bonds3

About 2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid

2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid (PubChem CID 134661764) has the molecular formula C8H7ClF2N2O2 and a molecular weight of 236.60 g/mol. Its IUPAC name is 2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
PubChem CID134661764
Molecular FormulaC8H7ClF2N2O2
Molecular Weight236.60 g/mol
Exact Mass236.02
IUPAC Name2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
SMILESNc1cc(CC(=O)O)c(Cl)c(C(F)F)n1
InChIInChI=1S/C8H7ClF2N2O2/c9-6-3(2-5(14)15)1-4(12)13-7(6)8(10)11/h1,8H,2H2,(H2,12,13)(H,14,15)
InChIKeyCDRIQVMKQIYANB-UHFFFAOYSA-N
XLogP1.88
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.60
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118807335
2-[6-amino-2-(difluoromethyl)-3-nitro-4-pyridinyl]acetic acid
CID 134663970
2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134671561
2-[6-amino-5-(chloromethyl)-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 119021321
2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102982
6-amino-2-(difluoromethyl)-3-fluoropyridine-4-carboxylic acid
CID 130104246
2-[6-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 119004828
2-[6-amino-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid
CID 134664300
6-amino-2-(difluoromethyl)-3-iodopyridine-4-carboxylic acid
CID 130105521
6-amino-3-chloro-4-(difluoromethyl)pyridine-2-carboxylic acid
CID 130102887
2-[5-amino-6-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid
CID 134671249
2-[3-amino-6-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 133093449

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid (CID 134661764) is 2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid is Nc1cc(CC(=O)O)c(Cl)c(C(F)F)n1.
What is the InChIKey of 2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid?
The InChIKey is CDRIQVMKQIYANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O2/c9-6-3(2-5(14)15)1-4(12)13-7(6)8(10)11/h1,8H,2H2,(H2,12,13)(H,14,15).
What are the key properties of 2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid?
2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid has a molecular weight of 236.60 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 134661764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).