fluoro(pyridin-2-yl)methanediamine

C6H8FN3 — CID 67406744

IUPACfluoro(pyridin-2-yl)methanediamine
SMILESNC(N)(F)c1ccccn1
InChIInChI=1S/C6H8FN3/c7-6(8,9)5-3-1-2-4-10-5/h1-4H,8-9H2
InChIKeyJAFAEIMEEXWKTB-UHFFFAOYSA-N
MW141.15 g/mol
LogP0.08
Rot. Bonds1

About fluoro(pyridin-2-yl)methanediamine

fluoro(pyridin-2-yl)methanediamine (PubChem CID 67406744) has the molecular formula C6H8FN3 and a molecular weight of 141.15 g/mol. Its IUPAC name is fluoro(pyridin-2-yl)methanediamine.

Molecular Properties

Compound Namefluoro(pyridin-2-yl)methanediamine
PubChem CID67406744
Molecular FormulaC6H8FN3
Molecular Weight141.15 g/mol
Exact Mass141.07
IUPAC Namefluoro(pyridin-2-yl)methanediamine
SMILESNC(N)(F)c1ccccn1
InChIInChI=1S/C6H8FN3/c7-6(8,9)5-3-1-2-4-10-5/h1-4H,8-9H2
InChIKeyJAFAEIMEEXWKTB-UHFFFAOYSA-N
XLogP0.08
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

difluoro(pyridin-2-yl)methanamine
CID 83854913
2-(1,1-difluoropropyl)pyridine
CID 59088790
2-(1,1-difluoro-2-methylpropyl)pyridine
CID 116841481
methanimidamide;2-(trifluoromethyl)pyridine
CID 175495104
2-(2-chloro-1,1,1-trifluoropropan-2-yl)pyridine
CID 146396997
2-[cyclopropyl(difluoro)methyl]pyridine
CID 116841751
2-pyridin-2-ylbutane-2,3-diamine
CID 87362021
benzene-1,2-dicarboxamide;2-(trifluoromethyl)pyridine
CID 175305816
copper pyridin-2-amine
CID 54608459
(1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol
CID 7018024
2-(3-chloro-1,1-difluoropropyl)pyridine
CID 178189978
fluoroform;pyridin-2-amine
CID 174867537

Frequently Asked Questions

What is the IUPAC name of fluoro(pyridin-2-yl)methanediamine?
The IUPAC name of fluoro(pyridin-2-yl)methanediamine (CID 67406744) is fluoro(pyridin-2-yl)methanediamine.
What is the SMILES notation for fluoro(pyridin-2-yl)methanediamine?
The canonical SMILES for fluoro(pyridin-2-yl)methanediamine is NC(N)(F)c1ccccn1.
What is the InChIKey of fluoro(pyridin-2-yl)methanediamine?
The InChIKey is JAFAEIMEEXWKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3/c7-6(8,9)5-3-1-2-4-10-5/h1-4H,8-9H2.
What are the key properties of fluoro(pyridin-2-yl)methanediamine?
fluoro(pyridin-2-yl)methanediamine has a molecular weight of 141.15 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(pyridin-2-yl)methanediamine is sourced from PubChem (CID 67406744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).