3-chloro-6-(4-chlorophenyl)-4-(decylamino)-5-fluoropyridine-2-carboxylic acid

C22H27Cl2FN2O2 — CID 67420299

IUPAC3-chloro-6-(4-chlorophenyl)-4-(decylamino)-5-fluoropyridine-2-carboxylic acid
SMILESCCCCCCCCCCNc1c(F)c(-c2ccc(Cl)cc2)nc(C(=O)O)c1Cl
InChIInChI=1S/C22H27Cl2FN2O2/c1-2-3-4-5-6-7-8-9-14-26-20-17(24)21(22(28)29)27-19(18(20)25)15-10-12-16(23)13-11-15/h10-13H,2-9,14H2,1H3,(H,26,27)(H,28,29)
InChIKeyMBDCMVQOJCNVIA-UHFFFAOYSA-N
MW441.37 g/mol
LogP7.45
Rot. Bonds12

About 3-chloro-6-(4-chlorophenyl)-4-(decylamino)-5-fluoropyridine-2-carboxylic acid

3-chloro-6-(4-chlorophenyl)-4-(decylamino)-5-fluoropyridine-2-carboxylic acid (PubChem CID 67420299) has the molecular formula C22H27Cl2FN2O2 and a molecular weight of 441.37 g/mol. Its IUPAC name is 3-chloro-6-(4-chlorophenyl)-4-(decylamino)-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(4-chlorophenyl)-4-(decylamino)-5-fluoropyridine-2-carboxylic acid
PubChem CID67420299
Molecular FormulaC22H27Cl2FN2O2
Molecular Weight441.37 g/mol
Exact Mass440.14
IUPAC Name3-chloro-6-(4-chlorophenyl)-4-(decylamino)-5-fluoropyridine-2-carboxylic acid
SMILESCCCCCCCCCCNc1c(F)c(-c2ccc(Cl)cc2)nc(C(=O)O)c1Cl
InChIInChI=1S/C22H27Cl2FN2O2/c1-2-3-4-5-6-7-8-9-14-26-20-17(24)21(22(28)29)27-19(18(20)25)15-10-12-16(23)13-11-15/h10-13H,2-9,14H2,1H3,(H,26,27)(H,28,29)
InChIKeyMBDCMVQOJCNVIA-UHFFFAOYSA-N
XLogP7.45
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.37
LogP ≤ 57.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-chloro-6-(4-chlorophenyl)-5-fluoropyridine-2-carboxylic acid
CID 141310101
4-amino-3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylic acid
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6-chloro-3-fluoro-N-pentylpyridin-2-amine
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CID 71583524
2-fluoro-4-(hexylamino)benzoic acid
CID 115485484
3-(4-chlorophenyl)-N-octadecyl-1H-pyrazole-5-carboxamide
CID 19509334
2-amino-3-fluoro-6-(hexylamino)benzoic acid
CID 83207621
4-[8-(4-chloroanilino)octylamino]benzoic acid
CID 57083445
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CID 82372862

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-chlorophenyl)-4-(decylamino)-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(4-chlorophenyl)-4-(decylamino)-5-fluoropyridine-2-carboxylic acid (CID 67420299) is 3-chloro-6-(4-chlorophenyl)-4-(decylamino)-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(4-chlorophenyl)-4-(decylamino)-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(4-chlorophenyl)-4-(decylamino)-5-fluoropyridine-2-carboxylic acid is CCCCCCCCCCNc1c(F)c(-c2ccc(Cl)cc2)nc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloro-6-(4-chlorophenyl)-4-(decylamino)-5-fluoropyridine-2-carboxylic acid?
The InChIKey is MBDCMVQOJCNVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2FN2O2/c1-2-3-4-5-6-7-8-9-14-26-20-17(24)21(22(28)29)27-19(18(20)25)15-10-12-16(23)13-11-15/h10-13H,2-9,14H2,1H3,(H,26,27)(H,28,29).
What are the key properties of 3-chloro-6-(4-chlorophenyl)-4-(decylamino)-5-fluoropyridine-2-carboxylic acid?
3-chloro-6-(4-chlorophenyl)-4-(decylamino)-5-fluoropyridine-2-carboxylic acid has a molecular weight of 441.37 g/mol, XLogP of 7.45, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-chlorophenyl)-4-(decylamino)-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 67420299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).