3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyridin-2-amine

C19H11BrClFN4 — CID 67364390

IUPAC3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyridin-2-amine
SMILESNc1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cc1Br
InChIInChI=1S/C19H11BrClFN4/c20-15-6-10(9-25-18(15)23)13-8-17(14-7-11(21)3-4-16(14)22)26-19-12(13)2-1-5-24-19/h1-9H,(H2,23,25)
InChIKeyKYNOJKGKMGDSRV-UHFFFAOYSA-N
MW429.68 g/mol
LogP5.50
Rot. Bonds2

About 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyridin-2-amine

3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyridin-2-amine (PubChem CID 67364390) 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-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyridin-2-amine
PubChem CID67364390
Molecular FormulaC19H11BrClFN4
Molecular Weight429.68 g/mol
Exact Mass427.98
IUPAC Name3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyridin-2-amine
SMILESNc1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cc1Br
InChIInChI=1S/C19H11BrClFN4/c20-15-6-10(9-25-18(15)23)13-8-17(14-7-11(21)3-4-16(14)22)26-19-12(13)2-1-5-24-19/h1-9H,(H2,23,25)
InChIKeyKYNOJKGKMGDSRV-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

SD-208
CID 10316032
5-(3-Bromo-phenyl)-7-(6-dimethylamino-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10895093
5-(3-Bromo-phenyl)-7-(6-dimethylamino-pyridin-3-yl)-6-pentyl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11306409
5-(3-Bromo-phenyl)-6-cyclohexyl-7-(6-dimethylamino-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11752435
5-(3-Bromo-phenyl)-7-(6-pyrrolidin-1-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44305396
5-(3-Bromo-phenyl)-7-[6-(methyl-pyridin-3-ylmethyl-amino)-pyridin-3-yl]-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44305631
2-(5-Chloro-2-fluorophenyl)-4-(3-ethyl-4-pyridylamino)pteridine
CID 44432057
4-N-[4-[6-[(5-bromo-3-pyridinyl)methylamino]-2-pyridinyl]-5-chloro-2-pyridinyl]cyclohexane-1,4-diamine
CID 68405069
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 68405487
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 68405622
5-(3-Chloro-phenyl)-7-(6-dimethylamino-pyridin-3-yl)-6-phenyl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10004031
4-(2-Chloro-4-fluorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine
CID 118726575

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyridin-2-amine (CID 67364390) is 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyridin-2-amine is Nc1ncc(-c2cc(-c3cc(Cl)ccc3F)nc3ncccc23)cc1Br.
What is the InChIKey of 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyridin-2-amine?
The InChIKey is KYNOJKGKMGDSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrClFN4/c20-15-6-10(9-25-18(15)23)13-8-17(14-7-11(21)3-4-16(14)22)26-19-12(13)2-1-5-24-19/h1-9H,(H2,23,25).
What are the key properties of 3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]pyridin-2-amine?
3-bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-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-4-yl]pyridin-2-amine is sourced from PubChem (CID 67364390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).