2-[6-amino-5-bromo-4-(difluoromethyl)-3-pyridinyl]acetonitrile

C8H6BrF2N3 — CID 119024402

IUPAC2-[6-amino-5-bromo-4-(difluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(N)c(Br)c1C(F)F
InChIInChI=1S/C8H6BrF2N3/c9-6-5(7(10)11)4(1-2-12)3-14-8(6)13/h3,7H,1H2,(H2,13,14)
InChIKeyXTFMHOGEJOCNDH-UHFFFAOYSA-N
MW262.06 g/mol
LogP2.43
Rot. Bonds2

About 2-[6-amino-5-bromo-4-(difluoromethyl)-3-pyridinyl]acetonitrile

2-[6-amino-5-bromo-4-(difluoromethyl)-3-pyridinyl]acetonitrile (PubChem CID 119024402) has the molecular formula C8H6BrF2N3 and a molecular weight of 262.06 g/mol. Its IUPAC name is 2-[6-amino-5-bromo-4-(difluoromethyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-amino-5-bromo-4-(difluoromethyl)-3-pyridinyl]acetonitrile
PubChem CID119024402
Molecular FormulaC8H6BrF2N3
Molecular Weight262.06 g/mol
Exact Mass260.97
IUPAC Name2-[6-amino-5-bromo-4-(difluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CCc1cnc(N)c(Br)c1C(F)F
InChIInChI=1S/C8H6BrF2N3/c9-6-5(7(10)11)4(1-2-12)3-14-8(6)13/h3,7H,1H2,(H2,13,14)
InChIKeyXTFMHOGEJOCNDH-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-amino-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetonitrile
CID 119001800
2-[6-amino-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 119006914
3-bromo-5-(chloromethyl)-4-(difluoromethyl)pyridin-2-amine
CID 130101929
2-[6-amino-5-(difluoromethyl)-4-methyl-3-pyridinyl]acetonitrile
CID 118990572
2-[4,5-dibromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099030
2-[6-amino-4-(difluoromethyl)-5-nitro-3-pyridinyl]acetonitrile
CID 119022096
2-[5-bromo-4-(difluoromethyl)-6-nitro-3-pyridinyl]acetonitrile
CID 130069833
2-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070050
2-[5-amino-6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile
CID 130105418
2-[5-bromo-6-(difluoromethyl)-4-methoxy-3-pyridinyl]acetonitrile
CID 130068862
2-[6-(bromomethyl)-5-chloro-4-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 118832614
[6-amino-4-bromo-5-(difluoromethyl)-3-pyridinyl]methanol
CID 118991598

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-bromo-4-(difluoromethyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-amino-5-bromo-4-(difluoromethyl)-3-pyridinyl]acetonitrile (CID 119024402) is 2-[6-amino-5-bromo-4-(difluoromethyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-amino-5-bromo-4-(difluoromethyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-amino-5-bromo-4-(difluoromethyl)-3-pyridinyl]acetonitrile is N#CCc1cnc(N)c(Br)c1C(F)F.
What is the InChIKey of 2-[6-amino-5-bromo-4-(difluoromethyl)-3-pyridinyl]acetonitrile?
The InChIKey is XTFMHOGEJOCNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2N3/c9-6-5(7(10)11)4(1-2-12)3-14-8(6)13/h3,7H,1H2,(H2,13,14).
What are the key properties of 2-[6-amino-5-bromo-4-(difluoromethyl)-3-pyridinyl]acetonitrile?
2-[6-amino-5-bromo-4-(difluoromethyl)-3-pyridinyl]acetonitrile has a molecular weight of 262.06 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-bromo-4-(difluoromethyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 119024402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).