2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile

C8H7F3N4O — CID 119011895

IUPAC2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1c(CN)cnc(N)c1OC(F)(F)F
InChIInChI=1S/C8H7F3N4O/c9-8(10,11)16-6-5(2-13)4(1-12)3-15-7(6)14/h3H,1,12H2,(H2,14,15)
InChIKeyDMBOFAWXGMQGKJ-UHFFFAOYSA-N
MW232.16 g/mol
LogP0.89
Rot. Bonds2

About 2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile

2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile (PubChem CID 119011895) has the molecular formula C8H7F3N4O and a molecular weight of 232.16 g/mol. Its IUPAC name is 2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
PubChem CID119011895
Molecular FormulaC8H7F3N4O
Molecular Weight232.16 g/mol
Exact Mass232.06
IUPAC Name2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile
SMILESN#Cc1c(CN)cnc(N)c1OC(F)(F)F
InChIInChI=1S/C8H7F3N4O/c9-8(10,11)16-6-5(2-13)4(1-12)3-15-7(6)14/h3H,1,12H2,(H2,14,15)
InChIKeyDMBOFAWXGMQGKJ-UHFFFAOYSA-N
XLogP0.89
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-amino-5-(aminomethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118990941
2-[6-amino-4-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118999485
2-amino-5-iodo-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119025125
2-amino-5-fluoro-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119020973
5-(aminomethyl)-4-methyl-3-(trifluoromethoxy)pyridin-2-amine
CID 119023642
5-(aminomethyl)-3-bromo-2-(trifluoromethoxy)pyridine-4-carbonitrile
CID 131464640
2-amino-5-methoxy-3-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118996877
2-[3-amino-5-(aminomethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133085802
6-amino-4-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630348
2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119004128
3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)pyridin-2-amine
CID 118993609
6-amino-4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 119001508

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile (CID 119011895) is 2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile is N#Cc1c(CN)cnc(N)c1OC(F)(F)F.
What is the InChIKey of 2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile?
The InChIKey is DMBOFAWXGMQGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4O/c9-8(10,11)16-6-5(2-13)4(1-12)3-15-7(6)14/h3H,1,12H2,(H2,14,15).
What are the key properties of 2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile?
2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile has a molecular weight of 232.16 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(aminomethyl)-3-(trifluoromethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 119011895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).