4-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine

C13H11ClF2N2 — CID 105383580

IUPAC4-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine
SMILESCN(c1ccccc1F)c1nccc(CCl)c1F
InChIInChI=1S/C13H11ClF2N2/c1-18(11-5-3-2-4-10(11)15)13-12(16)9(8-14)6-7-17-13/h2-7H,8H2,1H3
InChIKeyKDGWJCYHWHQKDV-UHFFFAOYSA-N
MW268.69 g/mol
LogP3.87
Rot. Bonds3

About 4-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine

4-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine (PubChem CID 105383580) has the molecular formula C13H11ClF2N2 and a molecular weight of 268.69 g/mol. Its IUPAC name is 4-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine
PubChem CID105383580
Molecular FormulaC13H11ClF2N2
Molecular Weight268.69 g/mol
Exact Mass268.06
IUPAC Name4-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine
SMILESCN(c1ccccc1F)c1nccc(CCl)c1F
InChIInChI=1S/C13H11ClF2N2/c1-18(11-5-3-2-4-10(11)15)13-12(16)9(8-14)6-7-17-13/h2-7H,8H2,1H3
InChIKeyKDGWJCYHWHQKDV-UHFFFAOYSA-N
XLogP3.87
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 53.87
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

4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine
CID 105383465
N-benzyl-4-(chloromethyl)-N-ethyl-3-fluoropyridin-2-amine
CID 105383463
[2-(N-ethyl-2-fluoroanilino)-3-fluoro-4-pyridinyl]methanol
CID 105383033
4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylpyridin-2-amine
CID 105383600
2-[[4-(chloromethyl)-3-fluoro-2-pyridinyl]oxy]-N,N-dimethylethanamine
CID 105383808
N-butyl-4-(chloromethyl)-3-fluoro-N-phenylpyridin-2-amine
CID 105383645
4-(chloromethyl)-N-ethyl-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105383537
(1S)-1-[2-(2-fluoro-N-methylanilino)-3-pyridinyl]ethanol
CID 114056037
4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine
CID 105383476
3-[(1S)-1-aminoethyl]-N-(2-fluorophenyl)-N-methylpyridin-2-amine
CID 114056087
4-(chloromethyl)-3-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 105383617
N-butan-2-yl-4-(chloromethyl)-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105383553

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine?
The IUPAC name of 4-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine (CID 105383580) is 4-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine?
The canonical SMILES for 4-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine is CN(c1ccccc1F)c1nccc(CCl)c1F.
What is the InChIKey of 4-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine?
The InChIKey is KDGWJCYHWHQKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2/c1-18(11-5-3-2-4-10(11)15)13-12(16)9(8-14)6-7-17-13/h2-7H,8H2,1H3.
What are the key properties of 4-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine?
4-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine has a molecular weight of 268.69 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 105383580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).