2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile

C8H6ClF2N3 — CID 130102804

IUPAC2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1c(Cl)cnc(C(F)F)c1N
InChIInChI=1S/C8H6ClF2N3/c9-5-3-14-7(8(10)11)6(13)4(5)1-2-12/h3,8H,1,13H2
InChIKeyRZASYSIWAROFFM-UHFFFAOYSA-N
MW217.61 g/mol
LogP2.32
Rot. Bonds2

About 2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile

2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile (PubChem CID 130102804) has the molecular formula C8H6ClF2N3 and a molecular weight of 217.61 g/mol. Its IUPAC name is 2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile
PubChem CID130102804
Molecular FormulaC8H6ClF2N3
Molecular Weight217.61 g/mol
Exact Mass217.02
IUPAC Name2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1c(Cl)cnc(C(F)F)c1N
InChIInChI=1S/C8H6ClF2N3/c9-5-3-14-7(8(10)11)6(13)4(5)1-2-12/h3,8H,1,13H2
InChIKeyRZASYSIWAROFFM-UHFFFAOYSA-N
XLogP2.32
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.61
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-amino-5-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130107143
2-[5-amino-6-(difluoromethyl)-4-iodo-3-pyridinyl]acetonitrile
CID 130105418
2-[3-chloro-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetonitrile
CID 130072557
2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099368
3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130071103
4-amino-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130103555
2-[4-(aminomethyl)-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130074972
2-[3-chloro-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130095597
2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetonitrile
CID 130069309
2-[5-(aminomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
CID 130081612
2-[3-chloro-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile
CID 134684682
2-[5-amino-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile
CID 130106062

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile (CID 130102804) is 2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile is N#CCc1c(Cl)cnc(C(F)F)c1N.
What is the InChIKey of 2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile?
The InChIKey is RZASYSIWAROFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2N3/c9-5-3-14-7(8(10)11)6(13)4(5)1-2-12/h3,8H,1,13H2.
What are the key properties of 2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile?
2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile has a molecular weight of 217.61 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 130102804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).