5-bromo-4-N-naphthalen-2-ylpyridine-3,4-diamine

C15H12BrN3 — CID 103517968

IUPAC5-bromo-4-N-naphthalen-2-ylpyridine-3,4-diamine
SMILESNc1cncc(Br)c1Nc1ccc2ccccc2c1
InChIInChI=1S/C15H12BrN3/c16-13-8-18-9-14(17)15(13)19-12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,17H2,(H,18,19)
InChIKeyCOAKPXUZAYKGHG-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.32
Rot. Bonds2

About 5-bromo-4-N-naphthalen-2-ylpyridine-3,4-diamine

5-bromo-4-N-naphthalen-2-ylpyridine-3,4-diamine (PubChem CID 103517968) has the molecular formula C15H12BrN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 5-bromo-4-N-naphthalen-2-ylpyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-naphthalen-2-ylpyridine-3,4-diamine
PubChem CID103517968
Molecular FormulaC15H12BrN3
Molecular Weight314.19 g/mol
Exact Mass313.02
IUPAC Name5-bromo-4-N-naphthalen-2-ylpyridine-3,4-diamine
SMILESNc1cncc(Br)c1Nc1ccc2ccccc2c1
InChIInChI=1S/C15H12BrN3/c16-13-8-18-9-14(17)15(13)19-12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,17H2,(H,18,19)
InChIKeyCOAKPXUZAYKGHG-UHFFFAOYSA-N
XLogP4.32
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-N-quinolin-6-ylpyridine-3,4-diamine
CID 103518059
4-N-naphthalen-2-ylpyrimidine-4,5-diamine
CID 79917712
2-N-naphthalen-2-ylpyrazine-2,6-diamine
CID 80647570
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
N-naphthalen-2-ylanthracen-9-amine
CID 139983847
5-bromo-4-N-(5-bromo-2-iodophenyl)pyridine-3,4-diamine
CID 114258679
3-amino-2-(naphthalen-2-ylamino)benzoic acid
CID 115934693
N-pentacen-2-ylpentacen-2-amine
CID 91227915
4-amino-N-naphthalen-2-ylpyridine-3-carboxamide
CID 81240881
2-[(3-amino-5-bromo-4-pyridinyl)amino]-4-bromobenzonitrile
CID 114002435
5-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]pyrimidin-2-amine
CID 17019849
4,5-dimethyl-1-N,2-N-dinaphthalen-2-ylbenzene-1,2-diamine
CID 121372627

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-naphthalen-2-ylpyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-naphthalen-2-ylpyridine-3,4-diamine (CID 103517968) is 5-bromo-4-N-naphthalen-2-ylpyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-naphthalen-2-ylpyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-naphthalen-2-ylpyridine-3,4-diamine is Nc1cncc(Br)c1Nc1ccc2ccccc2c1.
What is the InChIKey of 5-bromo-4-N-naphthalen-2-ylpyridine-3,4-diamine?
The InChIKey is COAKPXUZAYKGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3/c16-13-8-18-9-14(17)15(13)19-12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,17H2,(H,18,19).
What are the key properties of 5-bromo-4-N-naphthalen-2-ylpyridine-3,4-diamine?
5-bromo-4-N-naphthalen-2-ylpyridine-3,4-diamine has a molecular weight of 314.19 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-naphthalen-2-ylpyridine-3,4-diamine is sourced from PubChem (CID 103517968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).