5-(aminomethyl)-6-(difluoromethyl)pyridine-2,3-diamine

C7H10F2N4 — CID 130098671

IUPAC5-(aminomethyl)-6-(difluoromethyl)pyridine-2,3-diamine
SMILESNCc1cc(N)c(N)nc1C(F)F
InChIInChI=1S/C7H10F2N4/c8-6(9)5-3(2-10)1-4(11)7(12)13-5/h1,6H,2,10-11H2,(H2,12,13)
InChIKeyLNODQWBGXHHBLB-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.64
Rot. Bonds2

About 5-(aminomethyl)-6-(difluoromethyl)pyridine-2,3-diamine

5-(aminomethyl)-6-(difluoromethyl)pyridine-2,3-diamine (PubChem CID 130098671) has the molecular formula C7H10F2N4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 5-(aminomethyl)-6-(difluoromethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-(aminomethyl)-6-(difluoromethyl)pyridine-2,3-diamine
PubChem CID130098671
Molecular FormulaC7H10F2N4
Molecular Weight188.18 g/mol
Exact Mass188.09
IUPAC Name5-(aminomethyl)-6-(difluoromethyl)pyridine-2,3-diamine
SMILESNCc1cc(N)c(N)nc1C(F)F
InChIInChI=1S/C7H10F2N4/c8-6(9)5-3(2-10)1-4(11)7(12)13-5/h1,6H,2,10-11H2,(H2,12,13)
InChIKeyLNODQWBGXHHBLB-UHFFFAOYSA-N
XLogP0.64
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-6-(difluoromethyl)pyridine-2,5-diamine
CID 130098680
2-[5,6-diamino-2-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119009096
6-(difluoromethyl)-5-fluoropyridine-2,3-diamine
CID 130098596
2-[3-amino-5-(aminomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 134671512
3-(aminomethyl)-6-(difluoromethyl)-5-iodopyridin-2-amine
CID 119017545
[2-(difluoromethyl)-5,6-diiodo-3-pyridinyl]methanamine
CID 130100564
[2-(difluoromethyl)-5,6-dimethyl-3-pyridinyl]methanamine
CID 130101245
ethyl 2-[2-amino-5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134683900
5,6-diamino-2-(difluoromethyl)pyridine-3-carboxamide
CID 119003054
3-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119005302
6-(difluoromethyl)-5-nitropyridine-2,3-diamine
CID 119002066
ethyl 2-[6-amino-5-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134664484

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-6-(difluoromethyl)pyridine-2,3-diamine?
The IUPAC name of 5-(aminomethyl)-6-(difluoromethyl)pyridine-2,3-diamine (CID 130098671) is 5-(aminomethyl)-6-(difluoromethyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-(aminomethyl)-6-(difluoromethyl)pyridine-2,3-diamine?
The canonical SMILES for 5-(aminomethyl)-6-(difluoromethyl)pyridine-2,3-diamine is NCc1cc(N)c(N)nc1C(F)F.
What is the InChIKey of 5-(aminomethyl)-6-(difluoromethyl)pyridine-2,3-diamine?
The InChIKey is LNODQWBGXHHBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4/c8-6(9)5-3(2-10)1-4(11)7(12)13-5/h1,6H,2,10-11H2,(H2,12,13).
What are the key properties of 5-(aminomethyl)-6-(difluoromethyl)pyridine-2,3-diamine?
5-(aminomethyl)-6-(difluoromethyl)pyridine-2,3-diamine has a molecular weight of 188.18 g/mol, XLogP of 0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-6-(difluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 130098671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).