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

C8H6BrF2N3 — CID 130102010

IUPAC2-[6-amino-3-bromo-4-(difluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(N)cc(C(F)F)c1Br
InChIInChI=1S/C8H6BrF2N3/c9-7-4(8(10)11)3-6(13)14-5(7)1-2-12/h3,8H,1H2,(H2,13,14)
InChIKeyRJEIBWHUXDIPGK-UHFFFAOYSA-N
MW262.06 g/mol
LogP2.43
Rot. Bonds2

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

2-[6-amino-3-bromo-4-(difluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 130102010) has the molecular formula C8H6BrF2N3 and a molecular weight of 262.06 g/mol. Its IUPAC name is 2-[6-amino-3-bromo-4-(difluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-amino-3-bromo-4-(difluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID130102010
Molecular FormulaC8H6BrF2N3
Molecular Weight262.06 g/mol
Exact Mass260.97
IUPAC Name2-[6-amino-3-bromo-4-(difluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CCc1nc(N)cc(C(F)F)c1Br
InChIInChI=1S/C8H6BrF2N3/c9-7-4(8(10)11)3-6(13)14-5(7)1-2-12/h3,8H,1H2,(H2,13,14)
InChIKeyRJEIBWHUXDIPGK-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

6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130103415
2-[4-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetonitrile
CID 118804825
2-[3-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130109640
2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130108175
2-[6-bromo-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetonitrile
CID 119018638
2-bromo-6-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119012187
2-[5-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
CID 130069314
2-[6-bromo-5-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 119005589
2-[5-amino-3-(difluoromethyl)-6-nitro-2-pyridinyl]acetonitrile
CID 130106916
3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-carbonitrile
CID 130103544
6-(aminomethyl)-4-(difluoromethyl)pyridine-2,5-diamine
CID 118836943
2-[6-amino-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 119005828

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-3-bromo-4-(difluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-amino-3-bromo-4-(difluoromethyl)-2-pyridinyl]acetonitrile (CID 130102010) is 2-[6-amino-3-bromo-4-(difluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-amino-3-bromo-4-(difluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-amino-3-bromo-4-(difluoromethyl)-2-pyridinyl]acetonitrile is N#CCc1nc(N)cc(C(F)F)c1Br.
What is the InChIKey of 2-[6-amino-3-bromo-4-(difluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is RJEIBWHUXDIPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2N3/c9-7-4(8(10)11)3-6(13)14-5(7)1-2-12/h3,8H,1H2,(H2,13,14).
What are the key properties of 2-[6-amino-3-bromo-4-(difluoromethyl)-2-pyridinyl]acetonitrile?
2-[6-amino-3-bromo-4-(difluoromethyl)-2-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-3-bromo-4-(difluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 130102010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).