4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluoro-3-phosphanylphenyl]-5-fluoropyridine-2-carboxylic acid

C13H8ClF4N2O3P — CID 137484719

IUPAC4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluoro-3-phosphanylphenyl]-5-fluoropyridine-2-carboxylic acid
SMILESNc1c(F)c(-c2ccc(OC(F)F)c(P)c2F)nc(C(=O)O)c1Cl
InChIInChI=1S/C13H8ClF4N2O3P/c14-5-8(19)7(16)9(20-10(5)12(21)22)3-1-2-4(23-13(17)18)11(24)6(3)15/h1-2,13H,24H2,(H2,19,20)(H,21,22)
InChIKeyNWIRAOAFRGINJD-UHFFFAOYSA-N
MW382.64 g/mol
LogP3.06
Rot. Bonds4

About 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluoro-3-phosphanylphenyl]-5-fluoropyridine-2-carboxylic acid

4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluoro-3-phosphanylphenyl]-5-fluoropyridine-2-carboxylic acid (PubChem CID 137484719) has the molecular formula C13H8ClF4N2O3P and a molecular weight of 382.64 g/mol. Its IUPAC name is 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluoro-3-phosphanylphenyl]-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluoro-3-phosphanylphenyl]-5-fluoropyridine-2-carboxylic acid
PubChem CID137484719
Molecular FormulaC13H8ClF4N2O3P
Molecular Weight382.64 g/mol
Exact Mass381.99
IUPAC Name4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluoro-3-phosphanylphenyl]-5-fluoropyridine-2-carboxylic acid
SMILESNc1c(F)c(-c2ccc(OC(F)F)c(P)c2F)nc(C(=O)O)c1Cl
InChIInChI=1S/C13H8ClF4N2O3P/c14-5-8(19)7(16)9(20-10(5)12(21)22)3-1-2-4(23-13(17)18)11(24)6(3)15/h1-2,13H,24H2,(H2,19,20)(H,21,22)
InChIKeyNWIRAOAFRGINJD-UHFFFAOYSA-N
XLogP3.06
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.64
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-chloro-6-(4-chloro-2-fluoro-3-hydroperoxyphenyl)-5-fluoropyridine-2-carboxylic acid
CID 154956016
4-amino-6-(4-bromo-2,3-difluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
CID 90440347
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-phosphanylpyridine-2-carboxylic acid
CID 155064884
4-amino-6-(4-carbamoylphenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
CID 137484739
4-amino-6-(4-bromo-2-fluorophenyl)-3-chloro-5-fluoropyridine-2-carboxylic acid
CID 90440357
4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;ethane
CID 153350025
sodium;4-amino-3-chloro-5-fluoro-6-(7-fluoro-1H-indol-6-yl)pyridine-2-carboxylic acid;hydride
CID 175389232
4-amino-3-chloro-5-fluoro-6-[3-fluoro-2-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 90441349
4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid
CID 78319096
4-amino-3,5-dichloro-6-[4-(difluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 90440285
4-amino-3-chloro-6-(4-cyano-2-fluorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 90409966
4-amino-3-chloro-6-[4-(difluoromethoxy)phenyl]-5-methylpyridine-2-carboxylic acid
CID 90409767

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluoro-3-phosphanylphenyl]-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluoro-3-phosphanylphenyl]-5-fluoropyridine-2-carboxylic acid (CID 137484719) is 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluoro-3-phosphanylphenyl]-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluoro-3-phosphanylphenyl]-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluoro-3-phosphanylphenyl]-5-fluoropyridine-2-carboxylic acid is Nc1c(F)c(-c2ccc(OC(F)F)c(P)c2F)nc(C(=O)O)c1Cl.
What is the InChIKey of 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluoro-3-phosphanylphenyl]-5-fluoropyridine-2-carboxylic acid?
The InChIKey is NWIRAOAFRGINJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF4N2O3P/c14-5-8(19)7(16)9(20-10(5)12(21)22)3-1-2-4(23-13(17)18)11(24)6(3)15/h1-2,13H,24H2,(H2,19,20)(H,21,22).
What are the key properties of 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluoro-3-phosphanylphenyl]-5-fluoropyridine-2-carboxylic acid?
4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluoro-3-phosphanylphenyl]-5-fluoropyridine-2-carboxylic acid has a molecular weight of 382.64 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluoro-3-phosphanylphenyl]-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 137484719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).