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

C7H4BrF2N3 — CID 130101640

IUPAC5-amino-2-bromo-3-(difluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1c(N)cnc(Br)c1C(F)F
InChIInChI=1S/C7H4BrF2N3/c8-6-5(7(9)10)3(1-11)4(12)2-13-6/h2,7H,12H2
InChIKeySTPCCHQFAHTEEF-UHFFFAOYSA-N
MW248.03 g/mol
LogP2.24
Rot. Bonds1

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

5-amino-2-bromo-3-(difluoromethyl)pyridine-4-carbonitrile (PubChem CID 130101640) has the molecular formula C7H4BrF2N3 and a molecular weight of 248.03 g/mol. Its IUPAC name is 5-amino-2-bromo-3-(difluoromethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-amino-2-bromo-3-(difluoromethyl)pyridine-4-carbonitrile
PubChem CID130101640
Molecular FormulaC7H4BrF2N3
Molecular Weight248.03 g/mol
Exact Mass246.96
IUPAC Name5-amino-2-bromo-3-(difluoromethyl)pyridine-4-carbonitrile
SMILESN#Cc1c(N)cnc(Br)c1C(F)F
InChIInChI=1S/C7H4BrF2N3/c8-6-5(7(9)10)3(1-11)4(12)2-13-6/h2,7H,12H2
InChIKeySTPCCHQFAHTEEF-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonitrile
CID 130103258
2-bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine-4-carbonitrile
CID 118990949
2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130098869
5-(aminomethyl)-2-bromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130108787
2,3-dibromo-5-(difluoromethyl)pyridine-4-carbonitrile
CID 118833890
6-bromo-5-(difluoromethyl)-4-methoxypyridin-3-amine
CID 130101775
6-bromo-5-cyano-4-(difluoromethyl)pyridine-3-carboxylic acid
CID 118998250
5-amino-2-bromo-3-(difluoromethyl)pyridine-4-sulfonamide
CID 130102361
4-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118829842
2-[5-amino-4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 134673428
6-bromo-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119010650
5-amino-2-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131279556

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-3-(difluoromethyl)pyridine-4-carbonitrile?
The IUPAC name of 5-amino-2-bromo-3-(difluoromethyl)pyridine-4-carbonitrile (CID 130101640) is 5-amino-2-bromo-3-(difluoromethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 5-amino-2-bromo-3-(difluoromethyl)pyridine-4-carbonitrile?
The canonical SMILES for 5-amino-2-bromo-3-(difluoromethyl)pyridine-4-carbonitrile is N#Cc1c(N)cnc(Br)c1C(F)F.
What is the InChIKey of 5-amino-2-bromo-3-(difluoromethyl)pyridine-4-carbonitrile?
The InChIKey is STPCCHQFAHTEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF2N3/c8-6-5(7(9)10)3(1-11)4(12)2-13-6/h2,7H,12H2.
What are the key properties of 5-amino-2-bromo-3-(difluoromethyl)pyridine-4-carbonitrile?
5-amino-2-bromo-3-(difluoromethyl)pyridine-4-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 5-amino-2-bromo-3-(difluoromethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 130101640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).