4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-phosphanylpyridine-2-carboxylic acid

C13H10Cl2FN2O3P — CID 155064884

IUPAC4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-phosphanylpyridine-2-carboxylic acid
SMILESCOc1c(Cl)ccc(-c2nc(C(=O)O)c(Cl)c(N)c2P)c1F
InChIInChI=1S/C13H10Cl2FN2O3P/c1-21-11-5(14)3-2-4(7(11)16)9-12(22)8(17)6(15)10(18-9)13(19)20/h2-3H,22H2,1H3,(H2,17,18)(H,19,20)
InChIKeyTZSOSZJOHAWWSB-UHFFFAOYSA-N
MW363.11 g/mol
LogP2.98
Rot. Bonds3

About 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-phosphanylpyridine-2-carboxylic acid

4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-phosphanylpyridine-2-carboxylic acid (PubChem CID 155064884) has the molecular formula C13H10Cl2FN2O3P and a molecular weight of 363.11 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-phosphanylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-phosphanylpyridine-2-carboxylic acid
PubChem CID155064884
Molecular FormulaC13H10Cl2FN2O3P
Molecular Weight363.11 g/mol
Exact Mass361.98
IUPAC Name4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-phosphanylpyridine-2-carboxylic acid
SMILESCOc1c(Cl)ccc(-c2nc(C(=O)O)c(Cl)c(N)c2P)c1F
InChIInChI=1S/C13H10Cl2FN2O3P/c1-21-11-5(14)3-2-4(7(11)16)9-12(22)8(17)6(15)10(18-9)13(19)20/h2-3H,22H2,1H3,(H2,17,18)(H,19,20)
InChIKeyTZSOSZJOHAWWSB-UHFFFAOYSA-N
XLogP2.98
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.11
LogP ≤ 52.98
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
5,6-dichloro-2-(4-chloro-2-fluoro-3-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 86664731
methyl 2-[[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]acetate
CID 175232153
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoro-N-prop-2-enoxypyridine-2-carboxamide
CID 59471260
4-amino-3,5,6-trichloropyridine-2-carboxylic acid;methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
CID 76853151
4-amino-3-chloro-6-[4-(difluoromethoxy)-2-fluoro-3-phosphanylphenyl]-5-fluoropyridine-2-carboxylic acid
CID 137484719
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid;N,N-diethylethanamine
CID 66766863
5-(4-chloro-2-fluoro-3-methoxyphenyl)-2H-triazole-4-carboxamide
CID 169403614
4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-methoxypyridine-2-carboxylic acid
CID 71175273
4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carbonyl chloride;4,5-dichloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid
CID 161005648
[4-(trifluoromethyl)phenyl]methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylate
CID 88857410
1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene
CID 122700549

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-phosphanylpyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-phosphanylpyridine-2-carboxylic acid (CID 155064884) is 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-phosphanylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-phosphanylpyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-phosphanylpyridine-2-carboxylic acid is COc1c(Cl)ccc(-c2nc(C(=O)O)c(Cl)c(N)c2P)c1F.
What is the InChIKey of 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-phosphanylpyridine-2-carboxylic acid?
The InChIKey is TZSOSZJOHAWWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN2O3P/c1-21-11-5(14)3-2-4(7(11)16)9-12(22)8(17)6(15)10(18-9)13(19)20/h2-3H,22H2,1H3,(H2,17,18)(H,19,20).
What are the key properties of 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-phosphanylpyridine-2-carboxylic acid?
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-phosphanylpyridine-2-carboxylic acid has a molecular weight of 363.11 g/mol, XLogP of 2.98, 3 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-chloro-2-fluoro-3-methoxyphenyl)-5-phosphanylpyridine-2-carboxylic acid is sourced from PubChem (CID 155064884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).