6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine

C7H6BrClF2N2 — CID 130102704

IUPAC6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine
SMILESNc1cnc(CBr)c(C(F)F)c1Cl
InChIInChI=1S/C7H6BrClF2N2/c8-1-4-5(7(10)11)6(9)3(12)2-13-4/h2,7H,1,12H2
InChIKeyDSAJEKHQSLCZCW-UHFFFAOYSA-N
MW271.49 g/mol
LogP3.15
Rot. Bonds2

About 6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine

6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine (PubChem CID 130102704) has the molecular formula C7H6BrClF2N2 and a molecular weight of 271.49 g/mol. Its IUPAC name is 6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine
PubChem CID130102704
Molecular FormulaC7H6BrClF2N2
Molecular Weight271.49 g/mol
Exact Mass269.94
IUPAC Name6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine
SMILESNc1cnc(CBr)c(C(F)F)c1Cl
InChIInChI=1S/C7H6BrClF2N2/c8-1-4-5(7(10)11)6(9)3(12)2-13-4/h2,7H,1,12H2
InChIKeyDSAJEKHQSLCZCW-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol
CID 130102835
2-(bromomethyl)-4-chloro-3-(difluoromethyl)-5-fluoropyridine
CID 118855098
5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol
CID 130104710
6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118821339
2-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridin-4-amine
CID 130102690
2-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-fluoropyridine
CID 130071734
[4-amino-6-(bromomethyl)-5-(difluoromethyl)-3-pyridinyl]methanol
CID 130107177
4-chloro-5-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 130102768
2-[6-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118832614
4-bromo-6-(bromomethyl)-5-(difluoromethyl)pyridin-3-ol
CID 130110220
6-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridin-3-amine
CID 130104097
6-(bromomethyl)-5-(difluoromethyl)-4-fluoropyridin-3-ol
CID 130079407

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine?
The IUPAC name of 6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine (CID 130102704) is 6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine.
What is the SMILES notation for 6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine?
The canonical SMILES for 6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine is Nc1cnc(CBr)c(C(F)F)c1Cl.
What is the InChIKey of 6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine?
The InChIKey is DSAJEKHQSLCZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClF2N2/c8-1-4-5(7(10)11)6(9)3(12)2-13-4/h2,7H,1,12H2.
What are the key properties of 6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine?
6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine has a molecular weight of 271.49 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine is sourced from PubChem (CID 130102704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).