N-(4-chlorophenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine

C16H8ClF6N3 — CID 2764734

IUPACN-(4-chlorophenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
SMILESFC(F)(F)c1cc(C(F)(F)F)c2ccc(Nc3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C16H8ClF6N3/c17-8-1-3-9(4-2-8)24-13-6-5-10-11(15(18,19)20)7-12(16(21,22)23)25-14(10)26-13/h1-7H,(H,24,25,26)
InChIKeyQSQZKYACMGZWSX-UHFFFAOYSA-N
MW391.70 g/mol
LogP6.06
Rot. Bonds2

About N-(4-chlorophenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine

N-(4-chlorophenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine (PubChem CID 2764734) has the molecular formula C16H8ClF6N3 and a molecular weight of 391.70 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
PubChem CID2764734
Molecular FormulaC16H8ClF6N3
Molecular Weight391.70 g/mol
Exact Mass391.03
IUPAC NameN-(4-chlorophenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine
SMILESFC(F)(F)c1cc(C(F)(F)F)c2ccc(Nc3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C16H8ClF6N3/c17-8-1-3-9(4-2-8)24-13-6-5-10-11(15(18,19)20)7-12(16(21,22)23)25-14(10)26-13/h1-7H,(H,24,25,26)
InChIKeyQSQZKYACMGZWSX-UHFFFAOYSA-N
XLogP6.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.70
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-chlorophenyl)acetonitrile
CID 40783705
7-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine
CID 3758897
1-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-1-methylhydrazine
CID 1480427
N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 1419469
2,4-bis(trifluoromethyl)-1,8-naphthyridine
CID 165175632
4-N-(4-chlorophenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770133
7-(4-fluorophenoxy)-2,4-bis(trifluoromethyl)-1,8-naphthyridine
CID 2766503
4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]phenol
CID 1482352
2-chloro-N-(4-chloro-3-fluorophenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 112694906
5-chloro-7-(trifluoromethyl)-1,8-naphthyridin-2-amine
CID 10514665
4-N-(4-chlorophenyl)-6-methyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112929807
6-N-(4-chlorophenyl)-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717083

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine (CID 2764734) is N-(4-chlorophenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine is FC(F)(F)c1cc(C(F)(F)F)c2ccc(Nc3ccc(Cl)cc3)nc2n1.
What is the InChIKey of N-(4-chlorophenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine?
The InChIKey is QSQZKYACMGZWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF6N3/c17-8-1-3-9(4-2-8)24-13-6-5-10-11(15(18,19)20)7-12(16(21,22)23)25-14(10)26-13/h1-7H,(H,24,25,26).
What are the key properties of N-(4-chlorophenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine?
N-(4-chlorophenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine has a molecular weight of 391.70 g/mol, XLogP of 6.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-amine is sourced from PubChem (CID 2764734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).