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

C10H11F2N3O — CID 133084946

IUPAC2-[4-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile
SMILESCOc1nc(CC#N)cc(CN)c1C(F)F
InChIInChI=1S/C10H11F2N3O/c1-16-10-8(9(11)12)6(5-14)4-7(15-10)2-3-13/h4,9H,2,5,14H2,1H3
InChIKeyIRLGOYFXPZNKMR-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.55
Rot. Bonds4

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

2-[4-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile (PubChem CID 133084946) has the molecular formula C10H11F2N3O and a molecular weight of 227.21 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile
PubChem CID133084946
Molecular FormulaC10H11F2N3O
Molecular Weight227.21 g/mol
Exact Mass227.09
IUPAC Name2-[4-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile
SMILESCOc1nc(CC#N)cc(CN)c1C(F)F
InChIInChI=1S/C10H11F2N3O/c1-16-10-8(9(11)12)6(5-14)4-7(15-10)2-3-13/h4,9H,2,5,14H2,1H3
InChIKeyIRLGOYFXPZNKMR-UHFFFAOYSA-N
XLogP1.55
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bromo-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile
CID 118822105
2-[4-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134678124
2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile
CID 119012065
[5-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine
CID 130080559
2-[5-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134670121
2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile
CID 118842860
5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130077933
2-[5-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095106
2-[5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile
CID 133084936
2-[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133086423
2-[6-amino-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 118991234
2-[4-(bromomethyl)-6-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118852362

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile (CID 133084946) is 2-[4-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile is COc1nc(CC#N)cc(CN)c1C(F)F.
What is the InChIKey of 2-[4-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile?
The InChIKey is IRLGOYFXPZNKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O/c1-16-10-8(9(11)12)6(5-14)4-7(15-10)2-3-13/h4,9H,2,5,14H2,1H3.
What are the key properties of 2-[4-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile?
2-[4-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile has a molecular weight of 227.21 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile is sourced from PubChem (CID 133084946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).