2-tert-butyl-4-chloro-7-methyl-1,8-naphthyridine

C13H15ClN2 — CID 84698185

IUPAC2-tert-butyl-4-chloro-7-methyl-1,8-naphthyridine
SMILESCc1ccc2c(Cl)cc(C(C)(C)C)nc2n1
InChIInChI=1S/C13H15ClN2/c1-8-5-6-9-10(14)7-11(13(2,3)4)16-12(9)15-8/h5-7H,1-4H3
InChIKeyCZZGLNGRZRAIFC-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.89
Rot. Bonds

About 2-tert-butyl-4-chloro-7-methyl-1,8-naphthyridine

2-tert-butyl-4-chloro-7-methyl-1,8-naphthyridine (PubChem CID 84698185) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-7-methyl-1,8-naphthyridine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-7-methyl-1,8-naphthyridine
PubChem CID84698185
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name2-tert-butyl-4-chloro-7-methyl-1,8-naphthyridine
SMILESCc1ccc2c(Cl)cc(C(C)(C)C)nc2n1
InChIInChI=1S/C13H15ClN2/c1-8-5-6-9-10(14)7-11(13(2,3)4)16-12(9)15-8/h5-7H,1-4H3
InChIKeyCZZGLNGRZRAIFC-UHFFFAOYSA-N
XLogP3.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-7-(trifluoromethyl)-1,8-naphthyridin-2-amine
CID 10514665
3-tert-butyl-6-chloro-1-methylisoquinoline
CID 59286602
6-tert-butyl-4-chloro-1-methylpyrazolo[5,4-b]pyridine
CID 119053925
N-(3-chlorophenyl)-2,7-dimethyl-1,8-naphthyridin-4-amine
CID 19258540
8-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]-5,7-dichloro-2-methylquinoline
CID 4213603
2,7-dimethyl-1,8-naphthyridine
CID 594113
4,6-ditert-butyl-2-methylpyrimidine;ethane
CID 144567554
2,7-dimethyl-1,8-naphthyridine-3,4-diamine
CID 164964707
2,4-ditert-butyl-6-methylpyrimidine
CID 22950955
2-tert-butyl-4-chloro-5,8-dimethoxyquinoline
CID 43668703
4-chloro-2-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1,8-naphthyridine
CID 11841028
2-tert-butyl-4-(chloromethyl)-7,8-dimethylquinoline
CID 82448488

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-7-methyl-1,8-naphthyridine?
The IUPAC name of 2-tert-butyl-4-chloro-7-methyl-1,8-naphthyridine (CID 84698185) is 2-tert-butyl-4-chloro-7-methyl-1,8-naphthyridine.
What is the SMILES notation for 2-tert-butyl-4-chloro-7-methyl-1,8-naphthyridine?
The canonical SMILES for 2-tert-butyl-4-chloro-7-methyl-1,8-naphthyridine is Cc1ccc2c(Cl)cc(C(C)(C)C)nc2n1.
What is the InChIKey of 2-tert-butyl-4-chloro-7-methyl-1,8-naphthyridine?
The InChIKey is CZZGLNGRZRAIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-8-5-6-9-10(14)7-11(13(2,3)4)16-12(9)15-8/h5-7H,1-4H3.
What are the key properties of 2-tert-butyl-4-chloro-7-methyl-1,8-naphthyridine?
2-tert-butyl-4-chloro-7-methyl-1,8-naphthyridine has a molecular weight of 234.73 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-7-methyl-1,8-naphthyridine is sourced from PubChem (CID 84698185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).