3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-2-yl]pyridin-2-amine

C19H13BrClFN4 — CID 67379866

IUPAC3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-2-yl]pyridin-2-amine
SMILESNc1ncc(C2(c3cc(Cl)ccc3F)C=Cc3cccnc3N2)cc1Br
InChIInChI=1S/C19H13BrClFN4/c20-15-8-12(10-25-17(15)23)19(14-9-13(21)3-4-16(14)22)6-5-11-2-1-7-24-18(11)26-19/h1-10H,(H2,23,25)(H,24,26)
InChIKeyQIYHFOUBFDTREV-UHFFFAOYSA-N
MW431.70 g/mol
LogP5.00
Rot. Bonds2

About 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-2-yl]pyridin-2-amine

3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-2-yl]pyridin-2-amine (PubChem CID 67379866) has the molecular formula C19H13BrClFN4 and a molecular weight of 431.70 g/mol. Its IUPAC name is 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-2-yl]pyridin-2-amine
PubChem CID67379866
Molecular FormulaC19H13BrClFN4
Molecular Weight431.70 g/mol
Exact Mass430.00
IUPAC Name3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-2-yl]pyridin-2-amine
SMILESNc1ncc(C2(c3cc(Cl)ccc3F)C=Cc3cccnc3N2)cc1Br
InChIInChI=1S/C19H13BrClFN4/c20-15-8-12(10-25-17(15)23)19(14-9-13(21)3-4-16(14)22)6-5-11-2-1-7-24-18(11)26-19/h1-10H,(H2,23,25)(H,24,26)
InChIKeyQIYHFOUBFDTREV-UHFFFAOYSA-N
XLogP5.00
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.70
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-2-yl]pyridin-2-amine (CID 67379866) is 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-2-yl]pyridin-2-amine is Nc1ncc(C2(c3cc(Cl)ccc3F)C=Cc3cccnc3N2)cc1Br.
What is the InChIKey of 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-2-yl]pyridin-2-amine?
The InChIKey is QIYHFOUBFDTREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrClFN4/c20-15-8-12(10-25-17(15)23)19(14-9-13(21)3-4-16(14)22)6-5-11-2-1-7-24-18(11)26-19/h1-10H,(H2,23,25)(H,24,26).
What are the key properties of 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-2-yl]pyridin-2-amine?
3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-2-yl]pyridin-2-amine has a molecular weight of 431.70 g/mol, XLogP of 5.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1H-1,8-naphthyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 67379866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).