[3-bromo-4-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine

C7H6BrClF2N2 — CID 118820044

IUPAC[3-bromo-4-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1nc(C(F)F)cc(Cl)c1Br
InChIInChI=1S/C7H6BrClF2N2/c8-6-3(9)1-4(7(10)11)13-5(6)2-12/h1,7H,2,12H2
InChIKeySLNRCHFVZVOQCJ-UHFFFAOYSA-N
MW271.49 g/mol
LogP2.89
Rot. Bonds2

About [3-bromo-4-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine

[3-bromo-4-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine (PubChem CID 118820044) has the molecular formula C7H6BrClF2N2 and a molecular weight of 271.49 g/mol. Its IUPAC name is [3-bromo-4-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine
PubChem CID118820044
Molecular FormulaC7H6BrClF2N2
Molecular Weight271.49 g/mol
Exact Mass269.94
IUPAC Name[3-bromo-4-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine
SMILESNCc1nc(C(F)F)cc(Cl)c1Br
InChIInChI=1S/C7H6BrClF2N2/c8-6-3(9)1-4(7(10)11)13-5(6)2-12/h1,7H,2,12H2
InChIKeySLNRCHFVZVOQCJ-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine?
The IUPAC name of [3-bromo-4-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine (CID 118820044) is [3-bromo-4-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-bromo-4-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [3-bromo-4-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine is NCc1nc(C(F)F)cc(Cl)c1Br.
What is the InChIKey of [3-bromo-4-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine?
The InChIKey is SLNRCHFVZVOQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClF2N2/c8-6-3(9)1-4(7(10)11)13-5(6)2-12/h1,7H,2,12H2.
What are the key properties of [3-bromo-4-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine?
[3-bromo-4-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine has a molecular weight of 271.49 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-chloro-6-(difluoromethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 118820044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).