5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile

C8H6BrF2N3 — CID 130108769

IUPAC5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)ncc(CN)c1Br
InChIInChI=1S/C8H6BrF2N3/c9-6-4(1-12)3-14-7(8(10)11)5(6)2-13/h3,8H,1,12H2
InChIKeyOVMUQAQFRPKIQE-UHFFFAOYSA-N
MW262.06 g/mol
LogP2.11
Rot. Bonds2

About 5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile

5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile (PubChem CID 130108769) has the molecular formula C8H6BrF2N3 and a molecular weight of 262.06 g/mol. Its IUPAC name is 5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
PubChem CID130108769
Molecular FormulaC8H6BrF2N3
Molecular Weight262.06 g/mol
Exact Mass260.97
IUPAC Name5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)ncc(CN)c1Br
InChIInChI=1S/C8H6BrF2N3/c9-6-4(1-12)3-14-7(8(10)11)5(6)2-13/h3,8H,1,12H2
InChIKeyOVMUQAQFRPKIQE-UHFFFAOYSA-N
XLogP2.11
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.06
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-4-bromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130108771
5-(aminomethyl)-2-bromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130108787
3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077293
4-bromo-5-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 130109044
3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130071103
2-(difluoromethyl)-5-(hydroxymethyl)-4-iodopyridine-3-carbonitrile
CID 130077513
4-amino-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130103555
5-bromo-6-(difluoromethyl)-4-iodopyridine-3-carbonitrile
CID 130108642
methyl 2-[5-bromo-4-cyano-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134686064
5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)pyridine-4-carbonitrile
CID 131464640
6-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130108753
4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130071207

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile (CID 130108769) is 5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)F)ncc(CN)c1Br.
What is the InChIKey of 5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile?
The InChIKey is OVMUQAQFRPKIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2N3/c9-6-4(1-12)3-14-7(8(10)11)5(6)2-13/h3,8H,1,12H2.
What are the key properties of 5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile?
5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile has a molecular weight of 262.06 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 130108769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).