3-bromo-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-4-carbonitrile

C10H10BrN3 — CID 82623202

IUPAC3-bromo-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-4-carbonitrile
SMILESCN1CCc2ncc(Br)c(C#N)c2C1
InChIInChI=1S/C10H10BrN3/c1-14-3-2-10-8(6-14)7(4-12)9(11)5-13-10/h5H,2-3,6H2,1H3
InChIKeyICPZLASDTUUSIV-UHFFFAOYSA-N
MW252.11 g/mol
LogP1.70
Rot. Bonds

About 3-bromo-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-4-carbonitrile

3-bromo-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-4-carbonitrile (PubChem CID 82623202) has the molecular formula C10H10BrN3 and a molecular weight of 252.11 g/mol. Its IUPAC name is 3-bromo-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name3-bromo-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-4-carbonitrile
PubChem CID82623202
Molecular FormulaC10H10BrN3
Molecular Weight252.11 g/mol
Exact Mass251.01
IUPAC Name3-bromo-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-4-carbonitrile
SMILESCN1CCc2ncc(Br)c(C#N)c2C1
InChIInChI=1S/C10H10BrN3/c1-14-3-2-10-8(6-14)7(4-12)9(11)5-13-10/h5H,2-3,6H2,1H3
InChIKeyICPZLASDTUUSIV-UHFFFAOYSA-N
XLogP1.70
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propanenitrile
CID 112708628
8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile
CID 82452014
2-amino-4-[6-(dimethylamino)-3-pyridinyl]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 56886021
2-ethyl-6-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine
CID 126630238
5-methyl-2-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
CID 105473125
4-(furan-2-yl)-6-methyl-2-methylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 23475978
2,8-dimethyl-3,4-dihydro-1H-isoquinoline-7-carbonitrile
CID 82405719
4-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 82375874
2-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
CID 82611382
ethane;2-(4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzonitrile
CID 91278482
2,4-bis(cyclohexylamino)-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
CID 23960569
2-ethyl-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 126630251

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-4-carbonitrile?
The IUPAC name of 3-bromo-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-4-carbonitrile (CID 82623202) is 3-bromo-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-4-carbonitrile.
What is the SMILES notation for 3-bromo-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-4-carbonitrile?
The canonical SMILES for 3-bromo-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-4-carbonitrile is CN1CCc2ncc(Br)c(C#N)c2C1.
What is the InChIKey of 3-bromo-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-4-carbonitrile?
The InChIKey is ICPZLASDTUUSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-14-3-2-10-8(6-14)7(4-12)9(11)5-13-10/h5H,2-3,6H2,1H3.
What are the key properties of 3-bromo-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-4-carbonitrile?
3-bromo-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-4-carbonitrile has a molecular weight of 252.11 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-4-carbonitrile is sourced from PubChem (CID 82623202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).