4-(chloromethyl)-3-fluoro-N-methyl-N-(thiolan-3-yl)pyridin-2-amine

C11H14ClFN2S — CID 105383478

IUPAC4-(chloromethyl)-3-fluoro-N-methyl-N-(thiolan-3-yl)pyridin-2-amine
SMILESCN(c1nccc(CCl)c1F)C1CCSC1
InChIInChI=1S/C11H14ClFN2S/c1-15(9-3-5-16-7-9)11-10(13)8(6-12)2-4-14-11/h2,4,9H,3,5-7H2,1H3
InChIKeyCYHMYZJYIXMFMS-UHFFFAOYSA-N
MW260.76 g/mol
LogP2.90
Rot. Bonds3

About 4-(chloromethyl)-3-fluoro-N-methyl-N-(thiolan-3-yl)pyridin-2-amine

4-(chloromethyl)-3-fluoro-N-methyl-N-(thiolan-3-yl)pyridin-2-amine (PubChem CID 105383478) has the molecular formula C11H14ClFN2S and a molecular weight of 260.76 g/mol. Its IUPAC name is 4-(chloromethyl)-3-fluoro-N-methyl-N-(thiolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-3-fluoro-N-methyl-N-(thiolan-3-yl)pyridin-2-amine
PubChem CID105383478
Molecular FormulaC11H14ClFN2S
Molecular Weight260.76 g/mol
Exact Mass260.06
IUPAC Name4-(chloromethyl)-3-fluoro-N-methyl-N-(thiolan-3-yl)pyridin-2-amine
SMILESCN(c1nccc(CCl)c1F)C1CCSC1
InChIInChI=1S/C11H14ClFN2S/c1-15(9-3-5-16-7-9)11-10(13)8(6-12)2-4-14-11/h2,4,9H,3,5-7H2,1H3
InChIKeyCYHMYZJYIXMFMS-UHFFFAOYSA-N
XLogP2.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine
CID 105383476
N-[2-(chloromethyl)-4-fluorophenyl]-N-methylthiolan-3-amine
CID 43313555
4-(chloromethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 105383657
4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine
CID 105383465
2-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 62341679
2-[methyl(thiolan-3-yl)amino]pyridine-3-carboxylic acid
CID 43296968
4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylpyridin-2-amine
CID 105389498
5-bromo-2-chloro-N-methyl-N-(thiolan-3-yl)pyrimidin-4-amine
CID 79076376
3-fluoro-N-methyl-4-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)pyridin-2-amine
CID 105389734
4-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine
CID 105383580
3-fluoro-N-methyl-N-(oxan-4-yl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105389180
N-methyl-2-(methylaminomethyl)-N-(thiolan-3-yl)pyridin-4-amine
CID 62279218

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-fluoro-N-methyl-N-(thiolan-3-yl)pyridin-2-amine?
The IUPAC name of 4-(chloromethyl)-3-fluoro-N-methyl-N-(thiolan-3-yl)pyridin-2-amine (CID 105383478) is 4-(chloromethyl)-3-fluoro-N-methyl-N-(thiolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-3-fluoro-N-methyl-N-(thiolan-3-yl)pyridin-2-amine?
The canonical SMILES for 4-(chloromethyl)-3-fluoro-N-methyl-N-(thiolan-3-yl)pyridin-2-amine is CN(c1nccc(CCl)c1F)C1CCSC1.
What is the InChIKey of 4-(chloromethyl)-3-fluoro-N-methyl-N-(thiolan-3-yl)pyridin-2-amine?
The InChIKey is CYHMYZJYIXMFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2S/c1-15(9-3-5-16-7-9)11-10(13)8(6-12)2-4-14-11/h2,4,9H,3,5-7H2,1H3.
What are the key properties of 4-(chloromethyl)-3-fluoro-N-methyl-N-(thiolan-3-yl)pyridin-2-amine?
4-(chloromethyl)-3-fluoro-N-methyl-N-(thiolan-3-yl)pyridin-2-amine has a molecular weight of 260.76 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-fluoro-N-methyl-N-(thiolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 105383478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).