4-amino-3,5-dichloro-6-[4-(difluoromethoxy)phenyl]pyridine-2-carboxylic acid

C13H8Cl2F2N2O3 — CID 90440285

IUPAC4-amino-3,5-dichloro-6-[4-(difluoromethoxy)phenyl]pyridine-2-carboxylic acid
SMILESNc1c(Cl)c(C(=O)O)nc(-c2ccc(OC(F)F)cc2)c1Cl
InChIInChI=1S/C13H8Cl2F2N2O3/c14-7-9(18)8(15)11(12(20)21)19-10(7)5-1-3-6(4-2-5)22-13(16)17/h1-4,13H,(H2,18,19)(H,20,21)
InChIKeyOIWVUBXXFBFXFC-UHFFFAOYSA-N
MW349.12 g/mol
LogP3.94
Rot. Bonds4

About 4-amino-3,5-dichloro-6-[4-(difluoromethoxy)phenyl]pyridine-2-carboxylic acid

4-amino-3,5-dichloro-6-[4-(difluoromethoxy)phenyl]pyridine-2-carboxylic acid (PubChem CID 90440285) has the molecular formula C13H8Cl2F2N2O3 and a molecular weight of 349.12 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-6-[4-(difluoromethoxy)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3,5-dichloro-6-[4-(difluoromethoxy)phenyl]pyridine-2-carboxylic acid
PubChem CID90440285
Molecular FormulaC13H8Cl2F2N2O3
Molecular Weight349.12 g/mol
Exact Mass347.99
IUPAC Name4-amino-3,5-dichloro-6-[4-(difluoromethoxy)phenyl]pyridine-2-carboxylic acid
SMILESNc1c(Cl)c(C(=O)O)nc(-c2ccc(OC(F)F)cc2)c1Cl
InChIInChI=1S/C13H8Cl2F2N2O3/c14-7-9(18)8(15)11(12(20)21)19-10(7)5-1-3-6(4-2-5)22-13(16)17/h1-4,13H,(H2,18,19)(H,20,21)
InChIKeyOIWVUBXXFBFXFC-UHFFFAOYSA-N
XLogP3.94
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.12
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-methylpyridine-2-carboxylic acid
CID 90409767
4-amino-3-chloro-6-[4-(1-fluoroethoxy)phenyl]-5-methylpyridine-2-carboxylic acid
CID 163642311
4-amino-3,5-dichloro-6-(4-cyanophenyl)pyridine-2-carboxylic acid
CID 90440272
4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
CID 137484739
4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid
CID 78319096
4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluoro-3-phosphanylphenyl]-5-fluoropyridine-2-carboxylic acid
CID 137484719
4-amino-3-chloro-5-fluoro-6-[4-(2-oxoethenyl)phenyl]pyridine-2-carboxylic acid
CID 176525919
[4-amino-3,5-dichloro-6-(4-methoxyphenyl)-2-pyridinyl] hydrogen carbonate
CID 67419978
5-[4-(difluoromethoxy)phenyl]-3-methylpyrazine-2-carboxylic acid
CID 155286933
3-[4-(difluoromethoxy)phenyl]pyrazin-2-amine
CID 112559134
4-[4-(difluoromethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxylic acid
CID 166273929
3,4-bis[4-(difluoromethoxy)phenyl]-1H-pyrrole
CID 151277815

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-6-[4-(difluoromethoxy)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3,5-dichloro-6-[4-(difluoromethoxy)phenyl]pyridine-2-carboxylic acid (CID 90440285) is 4-amino-3,5-dichloro-6-[4-(difluoromethoxy)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3,5-dichloro-6-[4-(difluoromethoxy)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3,5-dichloro-6-[4-(difluoromethoxy)phenyl]pyridine-2-carboxylic acid is Nc1c(Cl)c(C(=O)O)nc(-c2ccc(OC(F)F)cc2)c1Cl.
What is the InChIKey of 4-amino-3,5-dichloro-6-[4-(difluoromethoxy)phenyl]pyridine-2-carboxylic acid?
The InChIKey is OIWVUBXXFBFXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F2N2O3/c14-7-9(18)8(15)11(12(20)21)19-10(7)5-1-3-6(4-2-5)22-13(16)17/h1-4,13H,(H2,18,19)(H,20,21).
What are the key properties of 4-amino-3,5-dichloro-6-[4-(difluoromethoxy)phenyl]pyridine-2-carboxylic acid?
4-amino-3,5-dichloro-6-[4-(difluoromethoxy)phenyl]pyridine-2-carboxylic acid has a molecular weight of 349.12 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-6-[4-(difluoromethoxy)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 90440285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).