3-bromo-2-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-4-carbonitrile

C10H10BrN3 — CID 131503038

IUPAC3-bromo-2-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-4-carbonitrile
SMILESCc1nc2c(c(C#N)c1Br)CCNC2
InChIInChI=1S/C10H10BrN3/c1-6-10(11)8(4-12)7-2-3-13-5-9(7)14-6/h13H,2-3,5H2,1H3
InChIKeyHJHAMZOZEIYADV-UHFFFAOYSA-N
MW252.11 g/mol
LogP1.67
Rot. Bonds

About 3-bromo-2-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-4-carbonitrile

3-bromo-2-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-4-carbonitrile (PubChem CID 131503038) has the molecular formula C10H10BrN3 and a molecular weight of 252.11 g/mol. Its IUPAC name is 3-bromo-2-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name3-bromo-2-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-4-carbonitrile
PubChem CID131503038
Molecular FormulaC10H10BrN3
Molecular Weight252.11 g/mol
Exact Mass251.01
IUPAC Name3-bromo-2-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-4-carbonitrile
SMILESCc1nc2c(c(C#N)c1Br)CCNC2
InChIInChI=1S/C10H10BrN3/c1-6-10(11)8(4-12)7-2-3-13-5-9(7)14-6/h13H,2-3,5H2,1H3
InChIKeyHJHAMZOZEIYADV-UHFFFAOYSA-N
XLogP1.67
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-4-carbonitrile?
The IUPAC name of 3-bromo-2-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-4-carbonitrile (CID 131503038) is 3-bromo-2-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 3-bromo-2-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 3-bromo-2-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-4-carbonitrile is Cc1nc2c(c(C#N)c1Br)CCNC2.
What is the InChIKey of 3-bromo-2-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-4-carbonitrile?
The InChIKey is HJHAMZOZEIYADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-6-10(11)8(4-12)7-2-3-13-5-9(7)14-6/h13H,2-3,5H2,1H3.
What are the key properties of 3-bromo-2-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-4-carbonitrile?
3-bromo-2-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-4-carbonitrile has a molecular weight of 252.11 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 131503038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).