3-bromo-4-methyl-N-naphthalen-2-ylpyridin-2-amine

C16H13BrN2 — CID 106876946

IUPAC3-bromo-4-methyl-N-naphthalen-2-ylpyridin-2-amine
SMILESCc1ccnc(Nc2ccc3ccccc3c2)c1Br
InChIInChI=1S/C16H13BrN2/c1-11-8-9-18-16(15(11)17)19-14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,1H3,(H,18,19)
InChIKeyILVBDEXHHHMIGW-UHFFFAOYSA-N
MW313.20 g/mol
LogP5.05
Rot. Bonds2

About 3-bromo-4-methyl-N-naphthalen-2-ylpyridin-2-amine

3-bromo-4-methyl-N-naphthalen-2-ylpyridin-2-amine (PubChem CID 106876946) has the molecular formula C16H13BrN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-naphthalen-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-4-methyl-N-naphthalen-2-ylpyridin-2-amine
PubChem CID106876946
Molecular FormulaC16H13BrN2
Molecular Weight313.20 g/mol
Exact Mass312.03
IUPAC Name3-bromo-4-methyl-N-naphthalen-2-ylpyridin-2-amine
SMILESCc1ccnc(Nc2ccc3ccccc3c2)c1Br
InChIInChI=1S/C16H13BrN2/c1-11-8-9-18-16(15(11)17)19-14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,1H3,(H,18,19)
InChIKeyILVBDEXHHHMIGW-UHFFFAOYSA-N
XLogP5.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.20
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(3-iodophenyl)-4-methylpyridin-2-amine
CID 106876477
3-bromo-N-(3,5-dichlorophenyl)-4-methylpyridin-2-amine
CID 106876466
5-[(3-bromo-4-methyl-2-pyridinyl)amino]isoindole-1,3-dione
CID 106876452
4-[(3-bromo-4-methyl-2-pyridinyl)amino]benzonitrile
CID 106876502
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine
CID 106877436
3-bromo-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)pyridin-2-amine
CID 106877354
4,5-dimethyl-1-N,2-N-dinaphthalen-2-ylbenzene-1,2-diamine
CID 121372627
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
3-bromo-N-(2-chloro-4-fluoro-5-methylphenyl)-4-methylpyridin-2-amine
CID 112734776
2-methyl-4-N-naphthalen-2-yl-1H-imidazole-4,5-diamine
CID 115001280
3-bromo-N-(3-fluoro-2-methylphenyl)-4-methylpyridin-2-amine
CID 106876933
3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine
CID 106877332

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-naphthalen-2-ylpyridin-2-amine?
The IUPAC name of 3-bromo-4-methyl-N-naphthalen-2-ylpyridin-2-amine (CID 106876946) is 3-bromo-4-methyl-N-naphthalen-2-ylpyridin-2-amine.
What is the SMILES notation for 3-bromo-4-methyl-N-naphthalen-2-ylpyridin-2-amine?
The canonical SMILES for 3-bromo-4-methyl-N-naphthalen-2-ylpyridin-2-amine is Cc1ccnc(Nc2ccc3ccccc3c2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-N-naphthalen-2-ylpyridin-2-amine?
The InChIKey is ILVBDEXHHHMIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2/c1-11-8-9-18-16(15(11)17)19-14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,1H3,(H,18,19).
What are the key properties of 3-bromo-4-methyl-N-naphthalen-2-ylpyridin-2-amine?
3-bromo-4-methyl-N-naphthalen-2-ylpyridin-2-amine has a molecular weight of 313.20 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-naphthalen-2-ylpyridin-2-amine is sourced from PubChem (CID 106876946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).