3-(bromomethyl)-2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine

C11H15BrN2 — CID 82452342

IUPAC3-(bromomethyl)-2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine
SMILESCc1nc2c(cc1CBr)CN(C)CC2
InChIInChI=1S/C11H15BrN2/c1-8-9(6-12)5-10-7-14(2)4-3-11(10)13-8/h5H,3-4,6-7H2,1-2H3
InChIKeyNTYOPXJUGKIGKG-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.27
Rot. Bonds1

About 3-(bromomethyl)-2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine

3-(bromomethyl)-2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 82452342) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 3-(bromomethyl)-2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name3-(bromomethyl)-2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID82452342
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name3-(bromomethyl)-2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine
SMILESCc1nc2c(cc1CBr)CN(C)CC2
InChIInChI=1S/C11H15BrN2/c1-8-9(6-12)5-10-7-14(2)4-3-11(10)13-8/h5H,3-4,6-7H2,1-2H3
InChIKeyNTYOPXJUGKIGKG-UHFFFAOYSA-N
XLogP2.27
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(6-ethyl-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]propan-2-amine
CID 82452377
2-(1-methoxyethyl)-3,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine
CID 171516831
1-(6-ethyl-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-N-methylmethanamine
CID 82452375
2-(cyclopropylmethoxy)-3,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine
CID 138580604
2-ethyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 116532966
ethyl 2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate
CID 54595310
6-methyl-2-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 116533203
2-methyl-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
CID 4245605
6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 155395760
2-ethyl-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 126630251
2-carbamoyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 117274635
ethyl 2-tert-butyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate
CID 116533769

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 3-(bromomethyl)-2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine (CID 82452342) is 3-(bromomethyl)-2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 3-(bromomethyl)-2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 3-(bromomethyl)-2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine is Cc1nc2c(cc1CBr)CN(C)CC2.
What is the InChIKey of 3-(bromomethyl)-2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is NTYOPXJUGKIGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-8-9(6-12)5-10-7-14(2)4-3-11(10)13-8/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(bromomethyl)-2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine?
3-(bromomethyl)-2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 255.16 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 82452342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).