2-[6-amino-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile

C9H9F2N3O — CID 119005828

IUPAC2-[6-amino-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
SMILESCOc1cc(C(F)F)c(CC#N)nc1N
InChIInChI=1S/C9H9F2N3O/c1-15-7-4-5(8(10)11)6(2-3-12)14-9(7)13/h4,8H,2H2,1H3,(H2,13,14)
InChIKeyZRPLVJFKLBJIOK-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.68
Rot. Bonds3

About 2-[6-amino-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile

2-[6-amino-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile (PubChem CID 119005828) has the molecular formula C9H9F2N3O and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-[6-amino-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-amino-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
PubChem CID119005828
Molecular FormulaC9H9F2N3O
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-[6-amino-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
SMILESCOc1cc(C(F)F)c(CC#N)nc1N
InChIInChI=1S/C9H9F2N3O/c1-15-7-4-5(8(10)11)6(2-3-12)14-9(7)13/h4,8H,2H2,1H3,(H2,13,14)
InChIKeyZRPLVJFKLBJIOK-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-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133099076
5-(difluoromethyl)-3,6-dimethoxypyridin-2-amine
CID 119013343
2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile
CID 119012065
2-[6-amino-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 118991234
2-[6-bromo-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetonitrile
CID 119018638
2-[6-chloro-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetonitrile
CID 118999391
2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118836861
2-[6-amino-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 119006598
2-[6-(chloromethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile
CID 130091380
2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile
CID 134672413
[3-(difluoromethyl)-6-fluoro-5-methoxy-2-pyridinyl]methanamine
CID 118836880
2-[6-(difluoromethyl)-5-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118820546

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-amino-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile (CID 119005828) is 2-[6-amino-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-amino-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-amino-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile is COc1cc(C(F)F)c(CC#N)nc1N.
What is the InChIKey of 2-[6-amino-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile?
The InChIKey is ZRPLVJFKLBJIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O/c1-15-7-4-5(8(10)11)6(2-3-12)14-9(7)13/h4,8H,2H2,1H3,(H2,13,14).
What are the key properties of 2-[6-amino-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile?
2-[6-amino-3-(difluoromethyl)-5-methoxy-2-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-[6-amino-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile is sourced from PubChem (CID 119005828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).