6-fluoro-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine

C9H11FN2 — CID 142484636

IUPAC6-fluoro-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine
SMILESCC1CCNc2ccc(F)nc21
InChIInChI=1S/C9H11FN2/c1-6-4-5-11-7-2-3-8(10)12-9(6)7/h2-3,6,11H,4-5H2,1H3
InChIKeyCUNFXKNUXJCNMA-UHFFFAOYSA-N
MW166.20 g/mol
LogP2.14
Rot. Bonds

About 6-fluoro-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine

6-fluoro-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine (PubChem CID 142484636) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 6-fluoro-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine.

Molecular Properties

Compound Name6-fluoro-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine
PubChem CID142484636
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name6-fluoro-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine
SMILESCC1CCNc2ccc(F)nc21
InChIInChI=1S/C9H11FN2/c1-6-4-5-11-7-2-3-8(10)12-9(6)7/h2-3,6,11H,4-5H2,1H3
InChIKeyCUNFXKNUXJCNMA-UHFFFAOYSA-N
XLogP2.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 52.14
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

6-(5-fluoro-6-iodo-1H-indazol-3-yl)-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine
CID 170364630
6-fluoro-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
CID 131699529
ethane;4-methyl-1,2,3,4-tetrahydro-1,7-naphthyridine
CID 143028453
5,8-dibromo-4-methyl-1,2,3,4-tetrahydroquinoline
CID 126978984
7-chloro-4-methyl-1,2,3,4-tetrahydroquinoline
CID 16744775
4-methyl-1,2,3,4-tetrahydroquinolin-8-amine
CID 119095098
9-methyl-1,2,6,7,8,9-hexahydropyrazolo[3,4-f]quinolin-3-one
CID 143481250
4-methyl-6-nitro-1,2,3,4-tetrahydroquinoline
CID 18367059
8-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 84718205
9-fluoro-2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepine
CID 82229787
(4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline
CID 96629809
4,6-difluoro-1,2,3,4-tetrahydroquinoline
CID 83853904

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine?
The IUPAC name of 6-fluoro-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine (CID 142484636) is 6-fluoro-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine.
What is the SMILES notation for 6-fluoro-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine?
The canonical SMILES for 6-fluoro-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine is CC1CCNc2ccc(F)nc21.
What is the InChIKey of 6-fluoro-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine?
The InChIKey is CUNFXKNUXJCNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c1-6-4-5-11-7-2-3-8(10)12-9(6)7/h2-3,6,11H,4-5H2,1H3.
What are the key properties of 6-fluoro-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine?
6-fluoro-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine has a molecular weight of 166.20 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine is sourced from PubChem (CID 142484636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).