2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine

C8H9ClF2N2 — CID 130106396

IUPAC2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine
SMILESCc1c(N)cc(C(F)F)nc1CCl
InChIInChI=1S/C8H9ClF2N2/c1-4-5(12)2-6(8(10)11)13-7(4)3-9/h2,8H,3H2,1H3,(H2,12,13)
InChIKeyOYKMCWJVOQMXTP-UHFFFAOYSA-N
MW206.62 g/mol
LogP2.65
Rot. Bonds2

About 2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine

2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine (PubChem CID 130106396) has the molecular formula C8H9ClF2N2 and a molecular weight of 206.62 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine
PubChem CID130106396
Molecular FormulaC8H9ClF2N2
Molecular Weight206.62 g/mol
Exact Mass206.04
IUPAC Name2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine
SMILESCc1c(N)cc(C(F)F)nc1CCl
InChIInChI=1S/C8H9ClF2N2/c1-4-5(12)2-6(8(10)11)13-7(4)3-9/h2,8H,3H2,1H3,(H2,12,13)
InChIKeyOYKMCWJVOQMXTP-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

2-[4-amino-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 118834747
[4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]methanol
CID 130107519
2-(chloromethyl)-6-(difluoromethyl)-4-methoxypyridin-3-amine
CID 130105970
2-[4-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130107709
ethyl 2-[4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134685817
2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridine
CID 130097601
2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridin-4-amine
CID 130105942
[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]methanol
CID 130098756
4-amino-6-(difluoromethyl)-3-methylpyridine-2-carboxamide
CID 118823020
2-[4-(chloromethyl)-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetic acid
CID 130090627
4-chloro-2-(chloromethyl)-6-(difluoromethyl)-3-iodopyridine
CID 130073192
4-amino-2-(aminomethyl)-6-(difluoromethyl)pyridin-3-ol
CID 118818065

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine?
The IUPAC name of 2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine (CID 130106396) is 2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine.
What is the SMILES notation for 2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine?
The canonical SMILES for 2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine is Cc1c(N)cc(C(F)F)nc1CCl.
What is the InChIKey of 2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine?
The InChIKey is OYKMCWJVOQMXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2/c1-4-5(12)2-6(8(10)11)13-7(4)3-9/h2,8H,3H2,1H3,(H2,12,13).
What are the key properties of 2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine?
2-(chloromethyl)-6-(difluoromethyl)-3-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 2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine is sourced from PubChem (CID 130106396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).