6-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine

C7H6ClF3N2 — CID 130104065

IUPAC6-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
SMILESNc1cc(C(F)F)c(F)c(CCl)n1
InChIInChI=1S/C7H6ClF3N2/c8-2-4-6(9)3(7(10)11)1-5(12)13-4/h1,7H,2H2,(H2,12,13)
InChIKeyCXQKROKQPMEZEJ-UHFFFAOYSA-N
MW210.59 g/mol
LogP2.48
Rot. Bonds2

About 6-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine

6-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine (PubChem CID 130104065) has the molecular formula C7H6ClF3N2 and a molecular weight of 210.59 g/mol. Its IUPAC name is 6-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine.

Molecular Properties

Compound Name6-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
PubChem CID130104065
Molecular FormulaC7H6ClF3N2
Molecular Weight210.59 g/mol
Exact Mass210.02
IUPAC Name6-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine
SMILESNc1cc(C(F)F)c(F)c(CCl)n1
InChIInChI=1S/C7H6ClF3N2/c8-2-4-6(9)3(7(10)11)1-5(12)13-4/h1,7H,2H2,(H2,12,13)
InChIKeyCXQKROKQPMEZEJ-UHFFFAOYSA-N
XLogP2.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.59
LogP ≤ 52.48
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

6-(chloromethyl)-4-(difluoromethyl)-5-iodopyridin-2-amine
CID 130105343
2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine
CID 118855239
6-chloro-4-(difluoromethyl)-5-fluoropyridin-2-amine
CID 130102435
6-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine
CID 130101938
methyl 2-[6-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134675998
6-(aminomethyl)-4-(difluoromethyl)pyridine-2,5-diamine
CID 118836943
6-amino-4-(difluoromethyl)-2-(hydroxymethyl)pyridin-3-ol
CID 130104825
6-(bromomethyl)-4-(difluoromethyl)-5-methylpyridin-2-amine
CID 130106324
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridin-2-amine
CID 119019561
4-(difluoromethyl)-5-fluoro-6-nitropyridin-2-amine
CID 130103945
3-chloro-2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine
CID 130071789
2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine
CID 119019350

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine?
The IUPAC name of 6-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine (CID 130104065) is 6-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine.
What is the SMILES notation for 6-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine?
The canonical SMILES for 6-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine is Nc1cc(C(F)F)c(F)c(CCl)n1.
What is the InChIKey of 6-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine?
The InChIKey is CXQKROKQPMEZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2/c8-2-4-6(9)3(7(10)11)1-5(12)13-4/h1,7H,2H2,(H2,12,13).
What are the key properties of 6-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine?
6-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine has a molecular weight of 210.59 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-4-(difluoromethyl)-5-fluoropyridin-2-amine is sourced from PubChem (CID 130104065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).