7-bromo-N-(5-fluoro-3-pyridinyl)-1,5-naphthyridin-4-amine

C13H8BrFN4 — CID 114254949

IUPAC7-bromo-N-(5-fluoro-3-pyridinyl)-1,5-naphthyridin-4-amine
SMILESFc1cncc(Nc2ccnc3cc(Br)cnc23)c1
InChIInChI=1S/C13H8BrFN4/c14-8-3-12-13(18-5-8)11(1-2-17-12)19-10-4-9(15)6-16-7-10/h1-7H,(H,17,19)
InChIKeyBASLXBLBPCPPOO-UHFFFAOYSA-N
MW319.14 g/mol
LogP3.67
Rot. Bonds2

About 7-bromo-N-(5-fluoro-3-pyridinyl)-1,5-naphthyridin-4-amine

7-bromo-N-(5-fluoro-3-pyridinyl)-1,5-naphthyridin-4-amine (PubChem CID 114254949) has the molecular formula C13H8BrFN4 and a molecular weight of 319.14 g/mol. Its IUPAC name is 7-bromo-N-(5-fluoro-3-pyridinyl)-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-(5-fluoro-3-pyridinyl)-1,5-naphthyridin-4-amine
PubChem CID114254949
Molecular FormulaC13H8BrFN4
Molecular Weight319.14 g/mol
Exact Mass317.99
IUPAC Name7-bromo-N-(5-fluoro-3-pyridinyl)-1,5-naphthyridin-4-amine
SMILESFc1cncc(Nc2ccnc3cc(Br)cnc23)c1
InChIInChI=1S/C13H8BrFN4/c14-8-3-12-13(18-5-8)11(1-2-17-12)19-10-4-9(15)6-16-7-10/h1-7H,(H,17,19)
InChIKeyBASLXBLBPCPPOO-UHFFFAOYSA-N
XLogP3.67
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tnik-IN-6
CID 146027031
1,5-Naphthyridin-4-amine
CID 589354
4-Bromo-1,5-naphthyridine
CID 15025737
1,5-Naphthyridin-3-amine
CID 589351
US11458138, Example 281
CID 135368023
US11458138, Example 276
CID 135368675
US11458138, Example 280
CID 135390258
US11458138, Example 294
CID 135390658
US20230339900, Example 153
CID 162761020
N',N'-diethyl-N-(1,5-naphthyridin-4-yl)propane-1,3-diamine
CID 155532114
(2S)-2-N-(7-bromo-1,5-naphthyridin-4-yl)-2-N-methylpropane-1,2-diamine
CID 164638865
2-Bromo-1,5-naphthyridine
CID 817263

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(5-fluoro-3-pyridinyl)-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-(5-fluoro-3-pyridinyl)-1,5-naphthyridin-4-amine (CID 114254949) is 7-bromo-N-(5-fluoro-3-pyridinyl)-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-(5-fluoro-3-pyridinyl)-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-(5-fluoro-3-pyridinyl)-1,5-naphthyridin-4-amine is Fc1cncc(Nc2ccnc3cc(Br)cnc23)c1.
What is the InChIKey of 7-bromo-N-(5-fluoro-3-pyridinyl)-1,5-naphthyridin-4-amine?
The InChIKey is BASLXBLBPCPPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN4/c14-8-3-12-13(18-5-8)11(1-2-17-12)19-10-4-9(15)6-16-7-10/h1-7H,(H,17,19).
What are the key properties of 7-bromo-N-(5-fluoro-3-pyridinyl)-1,5-naphthyridin-4-amine?
7-bromo-N-(5-fluoro-3-pyridinyl)-1,5-naphthyridin-4-amine has a molecular weight of 319.14 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(5-fluoro-3-pyridinyl)-1,5-naphthyridin-4-amine is sourced from PubChem (CID 114254949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).