1-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-6-fluoro-2,3-dihydroindole

C17H18ClFN2 — CID 103501443

IUPAC1-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-6-fluoro-2,3-dihydroindole
SMILESCC(C)c1cc(CCl)cc(N2CCc3ccc(F)cc32)n1
InChIInChI=1S/C17H18ClFN2/c1-11(2)15-7-12(10-18)8-17(20-15)21-6-5-13-3-4-14(19)9-16(13)21/h3-4,7-9,11H,5-6,10H2,1-2H3
InChIKeyQBLJIIQWCVUHJX-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.78
Rot. Bonds3

About 1-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-6-fluoro-2,3-dihydroindole

1-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-6-fluoro-2,3-dihydroindole (PubChem CID 103501443) has the molecular formula C17H18ClFN2 and a molecular weight of 304.80 g/mol. Its IUPAC name is 1-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-6-fluoro-2,3-dihydroindole.

Molecular Properties

Compound Name1-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-6-fluoro-2,3-dihydroindole
PubChem CID103501443
Molecular FormulaC17H18ClFN2
Molecular Weight304.80 g/mol
Exact Mass304.11
IUPAC Name1-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-6-fluoro-2,3-dihydroindole
SMILESCC(C)c1cc(CCl)cc(N2CCc3ccc(F)cc32)n1
InChIInChI=1S/C17H18ClFN2/c1-11(2)15-7-12(10-18)8-17(20-15)21-6-5-13-3-4-14(19)9-16(13)21/h3-4,7-9,11H,5-6,10H2,1-2H3
InChIKeyQBLJIIQWCVUHJX-UHFFFAOYSA-N
XLogP4.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-6-fluoro-2,3-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(6-fluoro-2,3-dihydroindol-1-yl)-6-methyl-4-pyridinyl]methanol
CID 103501402
1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-2,3-dihydroindole
CID 103500848
1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole
CID 103500895
[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methanol
CID 103498498
6-(6-fluoro-2,3-dihydroindol-1-yl)-2-propylpyrimidin-4-amine
CID 103504469
N-[[6-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 103502859
1-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-6-fluoro-2,3-dihydroindole
CID 103501441
[6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-3-pyridinyl]methanol
CID 103501395
6-(6-fluoro-2,3-dihydroindol-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 103504467
1-[2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-yl]propan-2-amine
CID 103503850
N-[[3-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]ethanamine
CID 103502907
1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-4-pyridinyl]-N-methylethanamine
CID 103496757

Frequently Asked Questions

What is the IUPAC name of 1-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-6-fluoro-2,3-dihydroindole?
The IUPAC name of 1-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-6-fluoro-2,3-dihydroindole (CID 103501443) is 1-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-6-fluoro-2,3-dihydroindole.
What is the SMILES notation for 1-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-6-fluoro-2,3-dihydroindole?
The canonical SMILES for 1-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-6-fluoro-2,3-dihydroindole is CC(C)c1cc(CCl)cc(N2CCc3ccc(F)cc32)n1.
What is the InChIKey of 1-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-6-fluoro-2,3-dihydroindole?
The InChIKey is QBLJIIQWCVUHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2/c1-11(2)15-7-12(10-18)8-17(20-15)21-6-5-13-3-4-14(19)9-16(13)21/h3-4,7-9,11H,5-6,10H2,1-2H3.
What are the key properties of 1-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-6-fluoro-2,3-dihydroindole?
1-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-6-fluoro-2,3-dihydroindole has a molecular weight of 304.80 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-6-fluoro-2,3-dihydroindole is sourced from PubChem (CID 103501443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).