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

C7H6BrClF2N2 — CID 130101968

IUPAC5-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine
SMILESNc1c(Br)cnc(CCl)c1C(F)F
InChIInChI=1S/C7H6BrClF2N2/c8-3-2-13-4(1-9)5(6(3)12)7(10)11/h2,7H,1H2,(H2,12,13)
InChIKeyZYMHPYJAVWNCCT-UHFFFAOYSA-N
MW271.49 g/mol
LogP3.10
Rot. Bonds2

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

5-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine (PubChem CID 130101968) has the molecular formula C7H6BrClF2N2 and a molecular weight of 271.49 g/mol. Its IUPAC name is 5-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine
PubChem CID130101968
Molecular FormulaC7H6BrClF2N2
Molecular Weight271.49 g/mol
Exact Mass269.94
IUPAC Name5-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine
SMILESNc1c(Br)cnc(CCl)c1C(F)F
InChIInChI=1S/C7H6BrClF2N2/c8-3-2-13-4(1-9)5(6(3)12)7(10)11/h2,7H,1H2,(H2,12,13)
InChIKeyZYMHPYJAVWNCCT-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

4,5-dibromo-2-(chloromethyl)-3-(difluoromethyl)pyridine
CID 118826919
6-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridin-3-amine
CID 130104097
5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carbaldehyde
CID 130070661
4-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 130070692
5-bromo-3-(difluoromethyl)-2-(trifluoromethoxy)pyridin-4-amine
CID 118822184
[5-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
CID 118836836
[5-bromo-4-(difluoromethyl)-3-fluoro-2-pyridinyl]methanamine
CID 118831229
3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine
CID 130101929
[4-amino-6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]methanol
CID 130107177
2-(chloromethyl)-3-(difluoromethyl)-4-iodo-5-(trifluoromethyl)pyridine
CID 118826938
2-(chloromethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carbonitrile
CID 118827119
6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine
CID 130102704

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine?
The IUPAC name of 5-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine (CID 130101968) is 5-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine.
What is the SMILES notation for 5-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine?
The canonical SMILES for 5-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine is Nc1c(Br)cnc(CCl)c1C(F)F.
What is the InChIKey of 5-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine?
The InChIKey is ZYMHPYJAVWNCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClF2N2/c8-3-2-13-4(1-9)5(6(3)12)7(10)11/h2,7H,1H2,(H2,12,13).
What are the key properties of 5-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine?
5-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridin-4-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 5-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine is sourced from PubChem (CID 130101968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).