3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine

C7H6BrClF2N2 — CID 130101929

IUPAC3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine
SMILESNc1ncc(CCl)c(C(F)F)c1Br
InChIInChI=1S/C7H6BrClF2N2/c8-5-4(6(10)11)3(1-9)2-13-7(5)12/h2,6H,1H2,(H2,12,13)
InChIKeyWTEZNVDLIJUPDJ-UHFFFAOYSA-N
MW271.49 g/mol
LogP3.10
Rot. Bonds2

About 3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine

3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine (PubChem CID 130101929) has the molecular formula C7H6BrClF2N2 and a molecular weight of 271.49 g/mol. Its IUPAC name is 3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine
PubChem CID130101929
Molecular FormulaC7H6BrClF2N2
Molecular Weight271.49 g/mol
Exact Mass269.94
IUPAC Name3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine
SMILESNc1ncc(CCl)c(C(F)F)c1Br
InChIInChI=1S/C7H6BrClF2N2/c8-5-4(6(10)11)3(1-9)2-13-7(5)12/h2,6H,1H2,(H2,12,13)
InChIKeyWTEZNVDLIJUPDJ-UHFFFAOYSA-N
XLogP3.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 53.10
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

3-bromo-5-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 130070510
2-[6-amino-5-bromo-4-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119024402
2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 119019587
3-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-2-amine
CID 118998627
[6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol
CID 118991598
2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine
CID 119022825
3-bromo-5-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
CID 130069239
5-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridin-2-amine
CID 119007700
2-[2-amino-5-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetic acid
CID 119020769
2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 118995369
4-bromo-5-(chloromethyl)-3-(difluoromethyl)-2-methoxypyridine
CID 118799277
5-(chloromethyl)-4-(difluoromethyl)-2-nitropyridin-3-amine
CID 130106874

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine (CID 130101929) is 3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine is Nc1ncc(CCl)c(C(F)F)c1Br.
What is the InChIKey of 3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine?
The InChIKey is WTEZNVDLIJUPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClF2N2/c8-5-4(6(10)11)3(1-9)2-13-7(5)12/h2,6H,1H2,(H2,12,13).
What are the key properties of 3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine?
3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine has a molecular weight of 271.49 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine is sourced from PubChem (CID 130101929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).