(2-amino-3-pyridinyl)methyl formate

C7H8N2O2 — CID 174668609

IUPAC(2-amino-3-pyridinyl)methyl formate
SMILESNc1ncccc1COC=O
InChIInChI=1S/C7H8N2O2/c8-7-6(4-11-5-10)2-1-3-9-7/h1-3,5H,4H2,(H2,8,9)
InChIKeyJLLJYMMVLZJBFQ-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.34
Rot. Bonds3

About (2-amino-3-pyridinyl)methyl formate

(2-amino-3-pyridinyl)methyl formate (PubChem CID 174668609) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)methyl formate.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)methyl formate
PubChem CID174668609
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name(2-amino-3-pyridinyl)methyl formate
SMILESNc1ncccc1COC=O
InChIInChI=1S/C7H8N2O2/c8-7-6(4-11-5-10)2-1-3-9-7/h1-3,5H,4H2,(H2,8,9)
InChIKeyJLLJYMMVLZJBFQ-UHFFFAOYSA-N
XLogP0.34
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3-aminopyrazin-2-yl)methyl formate
CID 174746179
4-[(2-amino-3-pyridinyl)methoxy]phenol
CID 105469611
3-[(2-fluorophenyl)methoxymethyl]pyridin-2-amine
CID 63935753
3-[(4-methylphenoxy)methyl]pyridin-2-amine
CID 62464607
2-[(2-amino-3-pyridinyl)methoxy]phenol
CID 105469613
3-prop-2-enylpyridin-2-amine
CID 22022139
3-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464415
3-[(2-amino-3-pyridinyl)methoxy]phenol
CID 105469612
4-[(2-amino-3-pyridinyl)methoxy]benzonitrile
CID 62465646
3-(3-methoxypropoxymethyl)pyridin-2-amine
CID 62465864
3-(methylsulfonylmethyl)pyridin-2-amine
CID 117212620
3-(aminomethyl)pyridin-2-amine;2,2-dimethylpropane;ethane
CID 162183420

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)methyl formate?
The IUPAC name of (2-amino-3-pyridinyl)methyl formate (CID 174668609) is (2-amino-3-pyridinyl)methyl formate.
What is the SMILES notation for (2-amino-3-pyridinyl)methyl formate?
The canonical SMILES for (2-amino-3-pyridinyl)methyl formate is Nc1ncccc1COC=O.
What is the InChIKey of (2-amino-3-pyridinyl)methyl formate?
The InChIKey is JLLJYMMVLZJBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-7-6(4-11-5-10)2-1-3-9-7/h1-3,5H,4H2,(H2,8,9).
What are the key properties of (2-amino-3-pyridinyl)methyl formate?
(2-amino-3-pyridinyl)methyl formate has a molecular weight of 152.15 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)methyl formate is sourced from PubChem (CID 174668609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).