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

C7H4BrF2N3 — CID 118829099

IUPAC4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)F)c(N)c1Br
InChIInChI=1S/C7H4BrF2N3/c8-5-4(1-11)13-2-3(6(5)12)7(9)10/h2,7H,(H2,12,13)
InChIKeyCCSWZPFHYGYBFJ-UHFFFAOYSA-N
MW248.03 g/mol
LogP2.24
Rot. Bonds1

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

4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 118829099) has the molecular formula C7H4BrF2N3 and a molecular weight of 248.03 g/mol. Its IUPAC name is 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID118829099
Molecular FormulaC7H4BrF2N3
Molecular Weight248.03 g/mol
Exact Mass246.96
IUPAC Name4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)F)c(N)c1Br
InChIInChI=1S/C7H4BrF2N3/c8-5-4(1-11)13-2-3(6(5)12)7(9)10/h2,7H,(H2,12,13)
InChIKeyCCSWZPFHYGYBFJ-UHFFFAOYSA-N
XLogP2.24
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.03
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118811799
3-bromo-5-(difluoromethyl)-4-methoxypyridine-2-carbonitrile
CID 130108664
3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-sulfonyl chloride
CID 130109174
3-bromo-4-(difluoromethyl)-5-fluoropyridine-2-carbonitrile
CID 130108564
ethyl 3-bromo-2-cyano-5-(difluoromethyl)pyridine-4-carboxylate
CID 134677907
3-amino-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130094588
4-bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118828849
5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile
CID 118991428
5-(aminomethyl)-4-bromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130108771
2,3-dibromo-5-(difluoromethyl)pyridine-4-carbonitrile
CID 118833890
5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 130103522
3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130071095

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carbonitrile (CID 118829099) is 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1ncc(C(F)F)c(N)c1Br.
What is the InChIKey of 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is CCSWZPFHYGYBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2N3/c8-5-4(1-11)13-2-3(6(5)12)7(9)10/h2,7H,(H2,12,13).
What are the key properties of 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carbonitrile?
4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carbonitrile has a molecular weight of 248.03 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 118829099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).