(3S)-7-chloro-3-methyl-1,2,3,4-tetrahydro-2,6-naphthyridine

C9H11ClN2 — CID 163219599

IUPAC(3S)-7-chloro-3-methyl-1,2,3,4-tetrahydro-2,6-naphthyridine
SMILESC[C@H]1Cc2cnc(Cl)cc2CN1
InChIInChI=1S/C9H11ClN2/c1-6-2-7-5-12-9(10)3-8(7)4-11-6/h3,5-6,11H,2,4H2,1H3/t6-/m0/s1
InChIKeyVJCVZMMFLVIKMD-LURJTMIESA-N
MW182.65 g/mol
LogP1.77
Rot. Bonds

About (3S)-7-chloro-3-methyl-1,2,3,4-tetrahydro-2,6-naphthyridine

(3S)-7-chloro-3-methyl-1,2,3,4-tetrahydro-2,6-naphthyridine (PubChem CID 163219599) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is (3S)-7-chloro-3-methyl-1,2,3,4-tetrahydro-2,6-naphthyridine.

Molecular Properties

Compound Name(3S)-7-chloro-3-methyl-1,2,3,4-tetrahydro-2,6-naphthyridine
PubChem CID163219599
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name(3S)-7-chloro-3-methyl-1,2,3,4-tetrahydro-2,6-naphthyridine
SMILESC[C@H]1Cc2cnc(Cl)cc2CN1
InChIInChI=1S/C9H11ClN2/c1-6-2-7-5-12-9(10)3-8(7)4-11-6/h3,5-6,11H,2,4H2,1H3/t6-/m0/s1
InChIKeyVJCVZMMFLVIKMD-LURJTMIESA-N
XLogP1.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5,7-dichloro-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 62374580
3-methyl-1,2,3,4-tetrahydroisoquinoline-7-thiol
CID 142557918
6,8-dichloro-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 62375422
7-cyclopropyl-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 79981005
7-bromo-6-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 170736167
(3S)-6-chloro-3-methyl-1,3-dihydrofuro[3,4-c]pyridine
CID 177205192
(3S)-6-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 155921000
8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 84720669
3-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375582
(7-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)methanol
CID 83957143
tert-butyl 3-[(6R)-3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]prop-2-enoate
CID 155073685
(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 130658829

Frequently Asked Questions

What is the IUPAC name of (3S)-7-chloro-3-methyl-1,2,3,4-tetrahydro-2,6-naphthyridine?
The IUPAC name of (3S)-7-chloro-3-methyl-1,2,3,4-tetrahydro-2,6-naphthyridine (CID 163219599) is (3S)-7-chloro-3-methyl-1,2,3,4-tetrahydro-2,6-naphthyridine.
What is the SMILES notation for (3S)-7-chloro-3-methyl-1,2,3,4-tetrahydro-2,6-naphthyridine?
The canonical SMILES for (3S)-7-chloro-3-methyl-1,2,3,4-tetrahydro-2,6-naphthyridine is C[C@H]1Cc2cnc(Cl)cc2CN1.
What is the InChIKey of (3S)-7-chloro-3-methyl-1,2,3,4-tetrahydro-2,6-naphthyridine?
The InChIKey is VJCVZMMFLVIKMD-LURJTMIESA-N. The full InChI is InChI=1S/C9H11ClN2/c1-6-2-7-5-12-9(10)3-8(7)4-11-6/h3,5-6,11H,2,4H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-7-chloro-3-methyl-1,2,3,4-tetrahydro-2,6-naphthyridine?
(3S)-7-chloro-3-methyl-1,2,3,4-tetrahydro-2,6-naphthyridine has a molecular weight of 182.65 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-chloro-3-methyl-1,2,3,4-tetrahydro-2,6-naphthyridine is sourced from PubChem (CID 163219599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).