4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridin-3-amine

C8H9ClF2N2 — CID 130106383

IUPAC4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridin-3-amine
SMILESCc1ncc(N)c(CCl)c1C(F)F
InChIInChI=1S/C8H9ClF2N2/c1-4-7(8(10)11)5(2-9)6(12)3-13-4/h3,8H,2,12H2,1H3
InChIKeyUKDYGWCTWYDPJJ-UHFFFAOYSA-N
MW206.62 g/mol
LogP2.65
Rot. Bonds2

About 4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridin-3-amine

4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridin-3-amine (PubChem CID 130106383) has the molecular formula C8H9ClF2N2 and a molecular weight of 206.62 g/mol. Its IUPAC name is 4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridin-3-amine.

Molecular Properties

Compound Name4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridin-3-amine
PubChem CID130106383
Molecular FormulaC8H9ClF2N2
Molecular Weight206.62 g/mol
Exact Mass206.04
IUPAC Name4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridin-3-amine
SMILESCc1ncc(N)c(CCl)c1C(F)F
InChIInChI=1S/C8H9ClF2N2/c1-4-7(8(10)11)5(2-9)6(12)3-13-4/h3,8H,2,12H2,1H3
InChIKeyUKDYGWCTWYDPJJ-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

5-(bromomethyl)-4-(difluoromethyl)-6-methylpyridin-3-amine
CID 130106341
2-[5-(chloromethyl)-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 130090374
6-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridin-3-amine
CID 130104097
4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-5-methylpyridine
CID 130081038
3-(chloromethyl)-2-(difluoromethyl)-5-methylpyridin-4-amine
CID 130106398
2-[5-amino-3-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 130107704
2-[5-(chloromethyl)-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid
CID 130090617
2-[5-(chloromethyl)-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetonitrile
CID 130090379
4-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 119011225
4-(difluoromethyl)-6-methyl-5-nitropyridin-3-amine
CID 130106268
[4-bromo-5-(difluoromethyl)-6-methyl-3-pyridinyl]methanamine
CID 130069153
4-(bromomethyl)-6-(difluoromethyl)-5-methylpyridin-3-amine
CID 130106337

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridin-3-amine?
The IUPAC name of 4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridin-3-amine (CID 130106383) is 4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridin-3-amine.
What is the SMILES notation for 4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridin-3-amine?
The canonical SMILES for 4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridin-3-amine is Cc1ncc(N)c(CCl)c1C(F)F.
What is the InChIKey of 4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridin-3-amine?
The InChIKey is UKDYGWCTWYDPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2/c1-4-7(8(10)11)5(2-9)6(12)3-13-4/h3,8H,2,12H2,1H3.
What are the key properties of 4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridin-3-amine?
4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridin-3-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 4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridin-3-amine is sourced from PubChem (CID 130106383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).