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

C14H11ClF2N2 — CID 103501441

IUPAC1-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-6-fluoro-2,3-dihydroindole
SMILESFc1ccc2c(c1)N(c1nccc(CCl)c1F)CC2
InChIInChI=1S/C14H11ClF2N2/c15-8-10-3-5-18-14(13(10)17)19-6-4-9-1-2-11(16)7-12(9)19/h1-3,5,7H,4,6,8H2
InChIKeyFYRQUXPAANMVTM-UHFFFAOYSA-N
MW280.71 g/mol
LogP3.79
Rot. Bonds2

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

1-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-6-fluoro-2,3-dihydroindole (PubChem CID 103501441) has the molecular formula C14H11ClF2N2 and a molecular weight of 280.71 g/mol. Its IUPAC name is 1-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-6-fluoro-2,3-dihydroindole.

Molecular Properties

Compound Name1-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-6-fluoro-2,3-dihydroindole
PubChem CID103501441
Molecular FormulaC14H11ClF2N2
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name1-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-6-fluoro-2,3-dihydroindole
SMILESFc1ccc2c(c1)N(c1nccc(CCl)c1F)CC2
InChIInChI=1S/C14H11ClF2N2/c15-8-10-3-5-18-14(13(10)17)19-6-4-9-1-2-11(16)7-12(9)19/h1-3,5,7H,4,6,8H2
InChIKeyFYRQUXPAANMVTM-UHFFFAOYSA-N
XLogP3.79
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 53.79
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

1-[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 103502864
N-[[2-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methyl]ethanamine
CID 103502844
N-[[2-(2,3-dihydroindol-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105388865
1-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-6-fluoro-2,3-dihydroindole
CID 103501443
2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 103493914
2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidine-4-carbonitrile
CID 107545455
[4-chloro-2-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanol
CID 103498387
4-(6-fluoro-2,3-dihydroindol-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136750424
[2-bromo-3-fluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 107532532
6-(6-fluoro-2,3-dihydroindol-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 103504481
4-(chloromethyl)-2-(3,4-dimethylpyrrolidin-1-yl)-3-fluoropyridine
CID 105383656
[6-(6-fluoro-2,3-dihydroindol-1-yl)-3-pyridinyl]methanol
CID 103498498

Frequently Asked Questions

What is the IUPAC name of 1-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-6-fluoro-2,3-dihydroindole?
The IUPAC name of 1-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-6-fluoro-2,3-dihydroindole (CID 103501441) is 1-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-6-fluoro-2,3-dihydroindole.
What is the SMILES notation for 1-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-6-fluoro-2,3-dihydroindole?
The canonical SMILES for 1-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-6-fluoro-2,3-dihydroindole is Fc1ccc2c(c1)N(c1nccc(CCl)c1F)CC2.
What is the InChIKey of 1-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-6-fluoro-2,3-dihydroindole?
The InChIKey is FYRQUXPAANMVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2/c15-8-10-3-5-18-14(13(10)17)19-6-4-9-1-2-11(16)7-12(9)19/h1-3,5,7H,4,6,8H2.
What are the key properties of 1-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-6-fluoro-2,3-dihydroindole?
1-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-6-fluoro-2,3-dihydroindole has a molecular weight of 280.71 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(chloromethyl)-3-fluoro-2-pyridinyl]-6-fluoro-2,3-dihydroindole is sourced from PubChem (CID 103501441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).