7-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine

C20H10BrF6N5 — CID 87302501

IUPAC7-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
SMILESFC(F)(F)c1ccc(Nc2ccnc3nc(-c4ncc(Br)cc4C(F)(F)F)ccc23)nc1
InChIInChI=1S/C20H10BrF6N5/c21-11-7-13(20(25,26)27)17(30-9-11)15-3-2-12-14(5-6-28-18(12)32-15)31-16-4-1-10(8-29-16)19(22,23)24/h1-9H,(H,28,29,31,32)
InChIKeyPOSVKMGMAJJDAP-UHFFFAOYSA-N
MW514.23 g/mol
LogP6.63
Rot. Bonds3

About 7-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine

7-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine (PubChem CID 87302501) has the molecular formula C20H10BrF6N5 and a molecular weight of 514.23 g/mol. Its IUPAC name is 7-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name7-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
PubChem CID87302501
Molecular FormulaC20H10BrF6N5
Molecular Weight514.23 g/mol
Exact Mass513.00
IUPAC Name7-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
SMILESFC(F)(F)c1ccc(Nc2ccnc3nc(-c4ncc(Br)cc4C(F)(F)F)ccc23)nc1
InChIInChI=1S/C20H10BrF6N5/c21-11-7-13(20(25,26)27)17(30-9-11)15-3-2-12-14(5-6-28-18(12)32-15)31-16-4-1-10(8-29-16)19(22,23)24/h1-9H,(H,28,29,31,32)
InChIKeyPOSVKMGMAJJDAP-UHFFFAOYSA-N
XLogP6.63
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.23
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
The IUPAC name of 7-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine (CID 87302501) is 7-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for 7-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
The canonical SMILES for 7-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine is FC(F)(F)c1ccc(Nc2ccnc3nc(-c4ncc(Br)cc4C(F)(F)F)ccc23)nc1.
What is the InChIKey of 7-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
The InChIKey is POSVKMGMAJJDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10BrF6N5/c21-11-7-13(20(25,26)27)17(30-9-11)15-3-2-12-14(5-6-28-18(12)32-15)31-16-4-1-10(8-29-16)19(22,23)24/h1-9H,(H,28,29,31,32).
What are the key properties of 7-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
7-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine has a molecular weight of 514.23 g/mol, XLogP of 6.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 87302501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).