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

C9H9F2N3O — CID 130106062

IUPAC2-[5-amino-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile
SMILESCOc1c(C(F)F)ncc(N)c1CC#N
InChIInChI=1S/C9H9F2N3O/c1-15-8-5(2-3-12)6(13)4-14-7(8)9(10)11/h4,9H,2,13H2,1H3
InChIKeyVFPGJFPINHHHJH-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.68
Rot. Bonds3

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

2-[5-amino-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile (PubChem CID 130106062) has the molecular formula C9H9F2N3O and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-[5-amino-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-amino-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile
PubChem CID130106062
Molecular FormulaC9H9F2N3O
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-[5-amino-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile
SMILESCOc1c(C(F)F)ncc(N)c1CC#N
InChIInChI=1S/C9H9F2N3O/c1-15-8-5(2-3-12)6(13)4-14-7(8)9(10)11/h4,9H,2,13H2,1H3
InChIKeyVFPGJFPINHHHJH-UHFFFAOYSA-N
XLogP1.68
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(chloromethyl)-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile
CID 130091416
2-[2-(difluoromethyl)-5-iodo-4-methoxy-3-pyridinyl]acetonitrile
CID 118814830
2-[5-bromo-6-(difluoromethyl)-4-methoxy-3-pyridinyl]acetonitrile
CID 130068862
2-[2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118809409
4-bromo-6-(difluoromethyl)-5-methoxypyridin-3-amine
CID 130101766
2-[4-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile
CID 118839601
2-[3-chloro-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile
CID 134684682
2-[2-(aminomethyl)-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetonitrile
CID 118837045
ethyl 2-[5-amino-2-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate
CID 134683817
2-[3-amino-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130102804
2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetonitrile
CID 130069309
2-[4-amino-5-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130107143

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-amino-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile (CID 130106062) is 2-[5-amino-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-amino-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-amino-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile is COc1c(C(F)F)ncc(N)c1CC#N.
What is the InChIKey of 2-[5-amino-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile?
The InChIKey is VFPGJFPINHHHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O/c1-15-8-5(2-3-12)6(13)4-14-7(8)9(10)11/h4,9H,2,13H2,1H3.
What are the key properties of 2-[5-amino-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile?
2-[5-amino-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile has a molecular weight of 213.19 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetonitrile is sourced from PubChem (CID 130106062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).