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

C8H6BrF2N3 — CID 118829842

IUPAC4-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(Br)ncc(C(F)F)c1CN
InChIInChI=1S/C8H6BrF2N3/c9-7-5(2-13)4(1-12)6(3-14-7)8(10)11/h3,8H,1,12H2
InChIKeyBWHBSIJMTCARTF-UHFFFAOYSA-N
MW262.06 g/mol
LogP2.11
Rot. Bonds2

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

4-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbonitrile (PubChem CID 118829842) has the molecular formula C8H6BrF2N3 and a molecular weight of 262.06 g/mol. Its IUPAC name is 4-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbonitrile
PubChem CID118829842
Molecular FormulaC8H6BrF2N3
Molecular Weight262.06 g/mol
Exact Mass260.97
IUPAC Name4-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(Br)ncc(C(F)F)c1CN
InChIInChI=1S/C8H6BrF2N3/c9-7-5(2-13)4(1-12)6(3-14-7)8(10)11/h3,8H,1,12H2
InChIKeyBWHBSIJMTCARTF-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

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bromo-3-cyano-5-(difluoromethyl)-4-pyridinyl]acetic acid
CID 119024525
5-(aminomethyl)-2-bromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130108787
3-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-4-carbonitrile
CID 130078189
2,3-dibromo-5-(difluoromethyl)pyridine-4-carbonitrile
CID 118833890
2,5-dibromo-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130098869
2-bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-4-carbonitrile
CID 118997017
4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 130095910
2-[4-(aminomethyl)-6-bromo-5-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130070050
2-amino-4-(cyanomethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119020158
2-[2-bromo-3-(bromomethyl)-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130070216
3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130071095
5-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130108769

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 4-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbonitrile (CID 118829842) is 4-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbonitrile is N#Cc1c(Br)ncc(C(F)F)c1CN.
What is the InChIKey of 4-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbonitrile?
The InChIKey is BWHBSIJMTCARTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2N3/c9-7-5(2-13)4(1-12)6(3-14-7)8(10)11/h3,8H,1,12H2.
What are the key properties of 4-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbonitrile?
4-(aminomethyl)-2-bromo-5-(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 4-(aminomethyl)-2-bromo-5-(difluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 118829842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).