3-(chloromethyl)-2-(difluoromethyl)-5-methylpyridin-4-amine

C8H9ClF2N2 — CID 130106398

IUPAC3-(chloromethyl)-2-(difluoromethyl)-5-methylpyridin-4-amine
SMILESCc1cnc(C(F)F)c(CCl)c1N
InChIInChI=1S/C8H9ClF2N2/c1-4-3-13-7(8(10)11)5(2-9)6(4)12/h3,8H,2H2,1H3,(H2,12,13)
InChIKeyFXJSEIIHSGUDHS-UHFFFAOYSA-N
MW206.62 g/mol
LogP2.65
Rot. Bonds2

About 3-(chloromethyl)-2-(difluoromethyl)-5-methylpyridin-4-amine

3-(chloromethyl)-2-(difluoromethyl)-5-methylpyridin-4-amine (PubChem CID 130106398) has the molecular formula C8H9ClF2N2 and a molecular weight of 206.62 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(difluoromethyl)-5-methylpyridin-4-amine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(difluoromethyl)-5-methylpyridin-4-amine
PubChem CID130106398
Molecular FormulaC8H9ClF2N2
Molecular Weight206.62 g/mol
Exact Mass206.04
IUPAC Name3-(chloromethyl)-2-(difluoromethyl)-5-methylpyridin-4-amine
SMILESCc1cnc(C(F)F)c(CCl)c1N
InChIInChI=1S/C8H9ClF2N2/c1-4-3-13-7(8(10)11)5(2-9)6(4)12/h3,8H,2H2,1H3,(H2,12,13)
InChIKeyFXJSEIIHSGUDHS-UHFFFAOYSA-N
XLogP2.65
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.62
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-2-(difluoromethyl)-5-methylpyridin-3-amine
CID 130106332
ethyl 2-[4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 133104227
3-bromo-5-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130108110
4,5-dichloro-3-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130099347
2-(difluoromethyl)-4-iodo-5-methylpyridin-3-amine
CID 130105197
[3-chloro-2-(difluoromethyl)-5-methyl-4-pyridinyl]methanamine
CID 118829811
[4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]methanol
CID 130082230
[4,5-diamino-2-(difluoromethyl)-3-pyridinyl]methanol
CID 118818389
2-[5-amino-3-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 130107704
[4-(chloromethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]methanol
CID 118840334
3-bromo-5-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
CID 130069239
5-(aminomethyl)-6-(difluoromethyl)-4-methylpyridin-3-amine
CID 130106307

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(difluoromethyl)-5-methylpyridin-4-amine?
The IUPAC name of 3-(chloromethyl)-2-(difluoromethyl)-5-methylpyridin-4-amine (CID 130106398) is 3-(chloromethyl)-2-(difluoromethyl)-5-methylpyridin-4-amine.
What is the SMILES notation for 3-(chloromethyl)-2-(difluoromethyl)-5-methylpyridin-4-amine?
The canonical SMILES for 3-(chloromethyl)-2-(difluoromethyl)-5-methylpyridin-4-amine is Cc1cnc(C(F)F)c(CCl)c1N.
What is the InChIKey of 3-(chloromethyl)-2-(difluoromethyl)-5-methylpyridin-4-amine?
The InChIKey is FXJSEIIHSGUDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2/c1-4-3-13-7(8(10)11)5(2-9)6(4)12/h3,8H,2H2,1H3,(H2,12,13).
What are the key properties of 3-(chloromethyl)-2-(difluoromethyl)-5-methylpyridin-4-amine?
3-(chloromethyl)-2-(difluoromethyl)-5-methylpyridin-4-amine has a molecular weight of 206.62 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(difluoromethyl)-5-methylpyridin-4-amine is sourced from PubChem (CID 130106398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).