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

C8H8F2N4 — CID 130103400

IUPAC5-amino-3-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(N)c(C(F)F)c1CN
InChIInChI=1S/C8H8F2N4/c9-8(10)7-4(1-11)6(2-12)14-3-5(7)13/h3,8H,1,11,13H2
InChIKeySOFMIBYXRVGXMI-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.93
Rot. Bonds2

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

5-amino-3-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbonitrile (PubChem CID 130103400) has the molecular formula C8H8F2N4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 5-amino-3-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
PubChem CID130103400
Molecular FormulaC8H8F2N4
Molecular Weight198.18 g/mol
Exact Mass198.07
IUPAC Name5-amino-3-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(N)c(C(F)F)c1CN
InChIInChI=1S/C8H8F2N4/c9-8(10)7-4(1-11)6(2-12)14-3-5(7)13/h3,8H,1,11,13H2
InChIKeySOFMIBYXRVGXMI-UHFFFAOYSA-N
XLogP0.93
TPSA88.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile
CID 130103592
5-(aminomethyl)-4-(difluoromethyl)-6-fluoropyridin-3-amine
CID 130104000
5-(aminomethyl)-4-(difluoromethyl)-6-iodopyridin-3-amine
CID 130105277
3-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-2-carbonitrile
CID 130071095
3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 133107332
5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 130103522
5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130071100
2-[5-amino-3-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134684591
5-(aminomethyl)-4-bromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130108771
2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118840121
5-bromo-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130108860
2-[4-(chloromethyl)-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118807262

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 5-amino-3-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbonitrile (CID 130103400) is 5-amino-3-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-amino-3-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-amino-3-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbonitrile is N#Cc1ncc(N)c(C(F)F)c1CN.
What is the InChIKey of 5-amino-3-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbonitrile?
The InChIKey is SOFMIBYXRVGXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4/c9-8(10)7-4(1-11)6(2-12)14-3-5(7)13/h3,8H,1,11,13H2.
What are the key properties of 5-amino-3-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbonitrile?
5-amino-3-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbonitrile has a molecular weight of 198.18 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130103400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).