2-chloro-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile

C14H9ClF3N3 — CID 83077718

IUPAC2-chloro-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(NCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H9ClF3N3/c15-12-5-9(7-19)6-13(21-12)20-8-10-3-1-2-4-11(10)14(16,17)18/h1-6H,8H2,(H,20,21)
InChIKeyCEPRDORULUDOFA-UHFFFAOYSA-N
MW311.69 g/mol
LogP4.24
Rot. Bonds3

About 2-chloro-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile

2-chloro-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile (PubChem CID 83077718) has the molecular formula C14H9ClF3N3 and a molecular weight of 311.69 g/mol. Its IUPAC name is 2-chloro-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
PubChem CID83077718
Molecular FormulaC14H9ClF3N3
Molecular Weight311.69 g/mol
Exact Mass311.04
IUPAC Name2-chloro-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(NCc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H9ClF3N3/c15-12-5-9(7-19)6-13(21-12)20-8-10-3-1-2-4-11(10)14(16,17)18/h1-6H,8H2,(H,20,21)
InChIKeyCEPRDORULUDOFA-UHFFFAOYSA-N
XLogP4.24
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 54.24
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

2-chloro-6-[[2-(methoxymethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 106192881
3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 103468304
2-chloro-6-[(4-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 83074582
4-chloro-6-(methoxymethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 94674112
6-hydrazinyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80905114
6-chloro-N-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715459
2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile
CID 83077164
2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 83072628
2-chloro-6-[(4-methylthiophen-3-yl)methylamino]pyridine-4-carbonitrile
CID 83076516
2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 62880800
4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]benzonitrile
CID 62879958
5-amino-2-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 62880770

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile (CID 83077718) is 2-chloro-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile is N#Cc1cc(Cl)nc(NCc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 2-chloro-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile?
The InChIKey is CEPRDORULUDOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3/c15-12-5-9(7-19)6-13(21-12)20-8-10-3-1-2-4-11(10)14(16,17)18/h1-6H,8H2,(H,20,21).
What are the key properties of 2-chloro-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile?
2-chloro-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile has a molecular weight of 311.69 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 83077718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).