2-[6-amino-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile

C9H9F2N3O — CID 118991234

IUPAC2-[6-amino-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
SMILESCOc1c(C(F)F)cc(CC#N)nc1N
InChIInChI=1S/C9H9F2N3O/c1-15-7-6(8(10)11)4-5(2-3-12)14-9(7)13/h4,8H,2H2,1H3,(H2,13,14)
InChIKeyYFUZRGIHLBXZKU-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.68
Rot. Bonds3

About 2-[6-amino-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile

2-[6-amino-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile (PubChem CID 118991234) has the molecular formula C9H9F2N3O and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-[6-amino-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-amino-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
PubChem CID118991234
Molecular FormulaC9H9F2N3O
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-[6-amino-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
SMILESCOc1c(C(F)F)cc(CC#N)nc1N
InChIInChI=1S/C9H9F2N3O/c1-15-7-6(8(10)11)4-5(2-3-12)14-9(7)13/h4,8H,2H2,1H3,(H2,13,14)
InChIKeyYFUZRGIHLBXZKU-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-[6-(chloromethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile
CID 130091380
2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile
CID 118842860
2-[6-amino-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 119005828
2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile
CID 119012065
2-[5-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetonitrile
CID 130069314
6-(bromomethyl)-4-(difluoromethyl)-3-methoxypyridine-2-carbonitrile
CID 130077962
[6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130073705
2-[2-(aminomethyl)-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetonitrile
CID 118837045
2-[4-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile
CID 133084946
[6-bromo-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130068701
2-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile
CID 134672413
2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118803481

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-amino-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile (CID 118991234) is 2-[6-amino-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-amino-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-amino-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile is COc1c(C(F)F)cc(CC#N)nc1N.
What is the InChIKey of 2-[6-amino-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile?
The InChIKey is YFUZRGIHLBXZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O/c1-15-7-6(8(10)11)4-5(2-3-12)14-9(7)13/h4,8H,2H2,1H3,(H2,13,14).
What are the key properties of 2-[6-amino-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile?
2-[6-amino-4-(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-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile is sourced from PubChem (CID 118991234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).