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

C9H9F2N3O — CID 119012065

IUPAC2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile
SMILESCOc1nc(N)c(CC#N)cc1C(F)F
InChIInChI=1S/C9H9F2N3O/c1-15-9-6(7(10)11)4-5(2-3-12)8(13)14-9/h4,7H,2H2,1H3,(H2,13,14)
InChIKeyZCYUBQIXRSOZGC-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.68
Rot. Bonds3

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

2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile (PubChem CID 119012065) has the molecular formula C9H9F2N3O and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile
PubChem CID119012065
Molecular FormulaC9H9F2N3O
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile
SMILESCOc1nc(N)c(CC#N)cc1C(F)F
InChIInChI=1S/C9H9F2N3O/c1-15-9-6(7(10)11)4-5(2-3-12)8(13)14-9/h4,7H,2H2,1H3,(H2,13,14)
InChIKeyZCYUBQIXRSOZGC-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

3-(cyanomethyl)-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
CID 134685939
3-(chloromethyl)-5-(difluoromethyl)-6-methoxypyridin-2-amine
CID 119023651
ethyl 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetate
CID 134683370
5-(difluoromethyl)-3,6-dimethoxypyridin-2-amine
CID 119013343
2-[6-amino-5-(difluoromethyl)-2-iodo-3-pyridinyl]acetonitrile
CID 119021329
2-[6-amino-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 119005828
2-[6-amino-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 118991234
2-[4-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile
CID 133084946
2-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde
CID 119020523
2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 130097445
2-[6-chloro-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 130073856
2-[3-chloro-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetonitrile
CID 134686354

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile (CID 119012065) is 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile is COc1nc(N)c(CC#N)cc1C(F)F.
What is the InChIKey of 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile?
The InChIKey is ZCYUBQIXRSOZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O/c1-15-9-6(7(10)11)4-5(2-3-12)8(13)14-9/h4,7H,2H2,1H3,(H2,13,14).
What are the key properties of 2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile?
2-[2-amino-5-(difluoromethyl)-6-methoxy-3-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-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile is sourced from PubChem (CID 119012065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).