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

C10H11F2N3O — CID 133084936

IUPAC2-[5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile
SMILESCOc1c(CC#N)ncc(CN)c1C(F)F
InChIInChI=1S/C10H11F2N3O/c1-16-9-7(2-3-13)15-5-6(4-14)8(9)10(11)12/h5,10H,2,4,14H2,1H3
InChIKeyNTBHLEIPEVMBQV-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.55
Rot. Bonds4

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

2-[5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile (PubChem CID 133084936) has the molecular formula C10H11F2N3O and a molecular weight of 227.21 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile
PubChem CID133084936
Molecular FormulaC10H11F2N3O
Molecular Weight227.21 g/mol
Exact Mass227.09
IUPAC Name2-[5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile
SMILESCOc1c(CC#N)ncc(CN)c1C(F)F
InChIInChI=1S/C10H11F2N3O/c1-16-9-7(2-3-13)15-5-6(4-14)8(9)10(11)12/h5,10H,2,4,14H2,1H3
InChIKeyNTBHLEIPEVMBQV-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-[5-(difluoromethyl)-3,4-dimethoxy-2-pyridinyl]acetonitrile
CID 134672413
2-[5-(difluoromethyl)-3-methoxy-4-methyl-2-pyridinyl]acetonitrile
CID 133100528
2-[2-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetonitrile
CID 118836991
2-[2-(aminomethyl)-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetonitrile
CID 118837045
2-(cyanomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carbonitrile
CID 118816708
methyl 2-[6-(aminomethyl)-4-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 133085269
2-(aminomethyl)-5-(cyanomethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
CID 118808807
[6-chloro-5-(difluoromethyl)-4-methoxy-3-pyridinyl]methanamine
CID 130073732
2-[3-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 134674914
2-[4-(difluoromethyl)-3-hydroxy-5-methoxy-2-pyridinyl]acetonitrile
CID 118823951
2-[4-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetonitrile
CID 133084946
2-[3-(bromomethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 130091195

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile (CID 133084936) is 2-[5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile is COc1c(CC#N)ncc(CN)c1C(F)F.
What is the InChIKey of 2-[5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile?
The InChIKey is NTBHLEIPEVMBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O/c1-16-9-7(2-3-13)15-5-6(4-14)8(9)10(11)12/h5,10H,2,4,14H2,1H3.
What are the key properties of 2-[5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile?
2-[5-(aminomethyl)-4-(difluoromethyl)-3-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-[5-(aminomethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile is sourced from PubChem (CID 133084936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).