5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile

C8H5ClF3N3O — CID 131312179

IUPAC5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(CCl)c(N)cc1OC(F)(F)F
InChIInChI=1S/C8H5ClF3N3O/c9-2-5-4(14)1-7(6(3-13)15-5)16-8(10,11)12/h1H,2,14H2
InChIKeyQPAKEAMFLHILDP-UHFFFAOYSA-N
MW251.59 g/mol
LogP2.17
Rot. Bonds2

About 5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile

5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 131312179) has the molecular formula C8H5ClF3N3O and a molecular weight of 251.59 g/mol. Its IUPAC name is 5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID131312179
Molecular FormulaC8H5ClF3N3O
Molecular Weight251.59 g/mol
Exact Mass251.01
IUPAC Name5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(CCl)c(N)cc1OC(F)(F)F
InChIInChI=1S/C8H5ClF3N3O/c9-2-5-4(14)1-7(6(3-13)15-5)16-8(10,11)12/h1H,2,14H2
InChIKeyQPAKEAMFLHILDP-UHFFFAOYSA-N
XLogP2.17
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.59
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-amino-6-formyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133095987
3-amino-6-(chloromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131393888
3-amino-6-cyano-5-(trifluoromethoxy)pyridine-2-carboxamide
CID 133095988
2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 133094812
5,6-dimethyl-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133096333
methyl 2-amino-6-cyano-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 133096940
6-bromo-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119012441
6-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118804353
2-chloro-4-(chloromethyl)-5-(trifluoromethoxy)aniline
CID 131323958
5-(aminomethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 130091860
6-amino-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131392806
6-amino-3-methoxy-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131467977

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile (CID 131312179) is 5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile is N#Cc1nc(CCl)c(N)cc1OC(F)(F)F.
What is the InChIKey of 5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is QPAKEAMFLHILDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N3O/c9-2-5-4(14)1-7(6(3-13)15-5)16-8(10,11)12/h1H,2,14H2.
What are the key properties of 5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile?
5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile has a molecular weight of 251.59 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(chloromethyl)-3-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 131312179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).