5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile

C13H9F2N3 — CID 79840079

IUPAC5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2cc(F)ccc2F)cn1
InChIInChI=1S/C13H9F2N3/c14-10-1-4-13(15)9(5-10)7-17-12-3-2-11(6-16)18-8-12/h1-5,8,17H,7H2
InChIKeyDVYMYSBPCLCMRR-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.84
Rot. Bonds3

About 5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile

5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile (PubChem CID 79840079) has the molecular formula C13H9F2N3 and a molecular weight of 245.23 g/mol. Its IUPAC name is 5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile
PubChem CID79840079
Molecular FormulaC13H9F2N3
Molecular Weight245.23 g/mol
Exact Mass245.08
IUPAC Name5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2cc(F)ccc2F)cn1
InChIInChI=1S/C13H9F2N3/c14-10-1-4-13(15)9(5-10)7-17-12-3-2-11(6-16)18-8-12/h1-5,8,17H,7H2
InChIKeyDVYMYSBPCLCMRR-UHFFFAOYSA-N
XLogP2.84
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-bromo-2-fluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79839971
5-[(2-bromo-5-fluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79839122
2-[(2,5-difluorophenyl)methylamino]pyrimidine-4-carbonitrile
CID 107544538
N-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine
CID 43312508
5-[(3-bromo-5-fluorophenyl)methylamino]pyridine-2-carbonitrile
CID 154840361
5-N-[(2,5-difluorophenyl)methyl]pyridine-3,5-diamine
CID 104534685
6-bromo-N-[(2,5-difluorophenyl)methyl]-5-methylpyridin-3-amine
CID 113379891
5-[(4-methylthiophen-3-yl)methylamino]pyridine-2-carbonitrile
CID 115487781
2-[3-[(2,5-difluorophenyl)methylamino]phenoxy]acetonitrile
CID 43721091
N-[(2,5-difluorophenyl)methyl]-3,5-difluoropyridin-2-amine
CID 112675874
4-N-[(2,5-difluorophenyl)methyl]-2-fluorobenzene-1,4-diamine
CID 115123866
4-N-[(2,5-difluorophenyl)methyl]pyridine-2,4-diamine
CID 113367849

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile (CID 79840079) is 5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile is N#Cc1ccc(NCc2cc(F)ccc2F)cn1.
What is the InChIKey of 5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile?
The InChIKey is DVYMYSBPCLCMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3/c14-10-1-4-13(15)9(5-10)7-17-12-3-2-11(6-16)18-8-12/h1-5,8,17H,7H2.
What are the key properties of 5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile?
5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile has a molecular weight of 245.23 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 79840079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).