4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridin-2-amine

C20H11Cl3FN3 — CID 25115234

IUPAC4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridin-2-amine
SMILESNc1cc(-c2ccc(F)cc2Cl)c2ccnc(-c3c(Cl)cccc3Cl)c2n1
InChIInChI=1S/C20H11Cl3FN3/c21-14-2-1-3-15(22)18(14)20-19-12(6-7-26-20)13(9-17(25)27-19)11-5-4-10(24)8-16(11)23/h1-9H,(H2,25,27)
InChIKeyHWEWYYQKTLGOCA-UHFFFAOYSA-N
MW418.69 g/mol
LogP6.65
Rot. Bonds2

About 4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridin-2-amine

4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridin-2-amine (PubChem CID 25115234) has the molecular formula C20H11Cl3FN3 and a molecular weight of 418.69 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridin-2-amine
PubChem CID25115234
Molecular FormulaC20H11Cl3FN3
Molecular Weight418.69 g/mol
Exact Mass417.00
IUPAC Name4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridin-2-amine
SMILESNc1cc(-c2ccc(F)cc2Cl)c2ccnc(-c3c(Cl)cccc3Cl)c2n1
InChIInChI=1S/C20H11Cl3FN3/c21-14-2-1-3-15(22)18(14)20-19-12(6-7-26-20)13(9-17(25)27-19)11-5-4-10(24)8-16(11)23/h1-9H,(H2,25,27)
InChIKeyHWEWYYQKTLGOCA-UHFFFAOYSA-N
XLogP6.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.69
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloro-4-fluorophenyl)-8-(2,6-difluorophenyl)pyrido[3,4-d]pyrimidin-2-amine;4-(2-chlorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-1,7-naphthyridin-7-ium-2-amine
CID 87441702
2-(1-tert-butylpiperidin-4-yl)-4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridine
CID 91047032
8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-N-piperidin-4-yl-1,7-naphthyridin-2-amine
CID 24898100
8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-1H-1,7-naphthyridin-2-one
CID 67270546
4-(2-chloro-4-fluorophenyl)-8-(2-chlorophenyl)-2-piperidin-4-yl-1,7-naphthyridine;4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-7-oxido-1,7-naphthyridin-7-ium
CID 87661622
4-(2-chloro-4-fluorophenyl)-8-(2,6-difluorophenyl)-7-oxido-1,7-naphthyridin-7-ium
CID 24896768
4-(2-chlorophenyl)-8-(2,6-difluorophenyl)-2-(1-methylpiperidin-4-yl)-1,7-naphthyridine
CID 91148535
6-(2-chloro-4-fluorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 113324920
1-chloro-2-(4-fluoro-2-methylphenyl)-3-methylbenzene
CID 66253733
3-(2-chloro-6-fluorophenyl)pyrazin-2-amine
CID 112559171
2-(2-chloro-4-fluorophenyl)-3-(chloromethyl)pyrazine
CID 154672751
6-[2-(2-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-amine
CID 90094649

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridin-2-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridin-2-amine (CID 25115234) is 4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridin-2-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridin-2-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridin-2-amine is Nc1cc(-c2ccc(F)cc2Cl)c2ccnc(-c3c(Cl)cccc3Cl)c2n1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridin-2-amine?
The InChIKey is HWEWYYQKTLGOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl3FN3/c21-14-2-1-3-15(22)18(14)20-19-12(6-7-26-20)13(9-17(25)27-19)11-5-4-10(24)8-16(11)23/h1-9H,(H2,25,27).
What are the key properties of 4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridin-2-amine?
4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridin-2-amine has a molecular weight of 418.69 g/mol, XLogP of 6.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-8-(2,6-dichlorophenyl)-1,7-naphthyridin-2-amine is sourced from PubChem (CID 25115234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).