1-(3-bromophenyl)-4H-1,8-naphthyridine

C14H11BrN2 — CID 158249531

IUPAC1-(3-bromophenyl)-4H-1,8-naphthyridine
SMILESBrc1cccc(N2C=CCc3cccnc32)c1
InChIInChI=1S/C14H11BrN2/c15-12-6-1-7-13(10-12)17-9-3-5-11-4-2-8-16-14(11)17/h1-4,6-10H,5H2
InChIKeyGGNSKBQVJWNKOB-UHFFFAOYSA-N
MW287.16 g/mol
LogP4.05
Rot. Bonds1

About 1-(3-bromophenyl)-4H-1,8-naphthyridine

1-(3-bromophenyl)-4H-1,8-naphthyridine (PubChem CID 158249531) has the molecular formula C14H11BrN2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4H-1,8-naphthyridine.

Molecular Properties

Compound Name1-(3-bromophenyl)-4H-1,8-naphthyridine
PubChem CID158249531
Molecular FormulaC14H11BrN2
Molecular Weight287.16 g/mol
Exact Mass286.01
IUPAC Name1-(3-bromophenyl)-4H-1,8-naphthyridine
SMILESBrc1cccc(N2C=CCc3cccnc32)c1
InChIInChI=1S/C14H11BrN2/c15-12-6-1-7-13(10-12)17-9-3-5-11-4-2-8-16-14(11)17/h1-4,6-10H,5H2
InChIKeyGGNSKBQVJWNKOB-UHFFFAOYSA-N
XLogP4.05
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-tert-butyl-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 69412648
2-(3-bromophenyl)-5H-1,2-oxazole
CID 173166082
1-(3-bromophenyl)pyrrolidine
CID 7016459
4-(3-bromophenyl)-1,2,4-triazole
CID 18001275
1-(3-bromophenyl)-3-pyridin-2-ylpyrazole-4-carboxylic acid
CID 43542706
1-(3-fluoro-2-pyridinyl)-4-phenylpiperazine
CID 171328537
N-[(3-bromophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676391
5H-cyclopenta[b]pyridine
CID 575987
2-(3-bromophenyl)pyrimidine
CID 26967381
1-(3-bromophenyl)-3-methylpyrrolidine-2,5-dione
CID 61036556
1,3-dibromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 54590075
1-(3-bromophenyl)aziridine-2-carbonitrile
CID 117009852

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4H-1,8-naphthyridine?
The IUPAC name of 1-(3-bromophenyl)-4H-1,8-naphthyridine (CID 158249531) is 1-(3-bromophenyl)-4H-1,8-naphthyridine.
What is the SMILES notation for 1-(3-bromophenyl)-4H-1,8-naphthyridine?
The canonical SMILES for 1-(3-bromophenyl)-4H-1,8-naphthyridine is Brc1cccc(N2C=CCc3cccnc32)c1.
What is the InChIKey of 1-(3-bromophenyl)-4H-1,8-naphthyridine?
The InChIKey is GGNSKBQVJWNKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2/c15-12-6-1-7-13(10-12)17-9-3-5-11-4-2-8-16-14(11)17/h1-4,6-10H,5H2.
What are the key properties of 1-(3-bromophenyl)-4H-1,8-naphthyridine?
1-(3-bromophenyl)-4H-1,8-naphthyridine has a molecular weight of 287.16 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4H-1,8-naphthyridine is sourced from PubChem (CID 158249531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).