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

C19H11BrClFN4 — CID 67379868

IUPAC3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine
SMILESNc1ncc(-c2cc3cccnc3nc2-c2cc(Cl)ccc2F)cc1Br
InChIInChI=1S/C19H11BrClFN4/c20-15-7-11(9-25-18(15)23)13-6-10-2-1-5-24-19(10)26-17(13)14-8-12(21)3-4-16(14)22/h1-9H,(H2,23,25)
InChIKeyBSSMVIYZLJAQCG-UHFFFAOYSA-N
MW429.68 g/mol
LogP5.50
Rot. Bonds2

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

3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine (PubChem CID 67379868) has the molecular formula C19H11BrClFN4 and a molecular weight of 429.68 g/mol. Its IUPAC name is 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine
PubChem CID67379868
Molecular FormulaC19H11BrClFN4
Molecular Weight429.68 g/mol
Exact Mass427.98
IUPAC Name3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine
SMILESNc1ncc(-c2cc3cccnc3nc2-c2cc(Cl)ccc2F)cc1Br
InChIInChI=1S/C19H11BrClFN4/c20-15-7-11(9-25-18(15)23)13-6-10-2-1-5-24-19(10)26-17(13)14-8-12(21)3-4-16(14)22/h1-9H,(H2,23,25)
InChIKeyBSSMVIYZLJAQCG-UHFFFAOYSA-N
XLogP5.50
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.68
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2,3-dimethylpyridine
CID 123542608
3-fluoro-1,8-naphthyridine
CID 20531189
3-chloro-5-(2,4-difluorophenyl)pyridin-2-amine
CID 168665656
4-(3-bromophenyl)-3-(5-chloro-2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560930
3-bromo-2-(3,4-difluorophenyl)pyridine
CID 130058353
4-amino-2-(5-chloro-2-fluorophenyl)pyrimidine-5-carbonitrile
CID 116865141
3-methyl-1,8-naphthyridin-2-amine
CID 89289464
5-bromo-3-(2,3,4-trifluorophenyl)pyrazin-2-amine
CID 87425040
3-(2-chloro-4,5-difluorophenyl)pyridin-2-amine
CID 107476818
2-(4-chloro-2-fluorophenyl)pyridin-3-ol
CID 83130990
6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine
CID 90095665
2-amino-4-(3-bromo-4-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3326017

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine (CID 67379868) is 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine is Nc1ncc(-c2cc3cccnc3nc2-c2cc(Cl)ccc2F)cc1Br.
What is the InChIKey of 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine?
The InChIKey is BSSMVIYZLJAQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrClFN4/c20-15-7-11(9-25-18(15)23)13-6-10-2-1-5-24-19(10)26-17(13)14-8-12(21)3-4-16(14)22/h1-9H,(H2,23,25).
What are the key properties of 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine?
3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine has a molecular weight of 429.68 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 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)-1,8-naphthyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 67379868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).