formamido 2-methylpyridine-4-carboxylate

C8H8N2O3 — CID 175524966

IUPACformamido 2-methylpyridine-4-carboxylate
SMILESCc1cc(C(=O)ONC=O)ccn1
InChIInChI=1S/C8H8N2O3/c1-6-4-7(2-3-9-6)8(12)13-10-5-11/h2-5H,1H3,(H,10,11)
InChIKeyPTIHZEQEIIQDPP-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.21
Rot. Bonds3

About formamido 2-methylpyridine-4-carboxylate

formamido 2-methylpyridine-4-carboxylate (PubChem CID 175524966) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is formamido 2-methylpyridine-4-carboxylate.

Molecular Properties

Compound Nameformamido 2-methylpyridine-4-carboxylate
PubChem CID175524966
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Nameformamido 2-methylpyridine-4-carboxylate
SMILESCc1cc(C(=O)ONC=O)ccn1
InChIInChI=1S/C8H8N2O3/c1-6-4-7(2-3-9-6)8(12)13-10-5-11/h2-5H,1H3,(H,10,11)
InChIKeyPTIHZEQEIIQDPP-UHFFFAOYSA-N
XLogP0.21
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethylpyridine-4-carboxamide;ethane
CID 143416894
(2-methyl-4-pyridinyl)-phenylmethanone
CID 12913274
dichloromethane;2-methylpyridine-4-carbohydrazide
CID 157362616
1-(2-methyl-4-pyridinyl)but-3-en-1-one
CID 106754566
N-[2-(ethylamino)ethyl]-2-methylpyridine-4-carboxamide
CID 106753602
methyl 2-[(2-methylpyridine-4-carbonyl)amino]propanoate
CID 106753807
2-methyl-N-(2-methylpropylideneamino)pyridine-4-carboxamide
CID 74935568
3-methylidene-1-(2-methyl-4-pyridinyl)pentan-1-one
CID 106754699
1-(2-methyl-4-pyridinyl)but-3-yn-1-one
CID 106754540
N-[(2S)-2-hydroxypropyl]-2-methylpyridine-4-carboxamide
CID 106753450
[1-bromo-2-(2-methyl-4-pyridinyl)-2-oxoethyl] acetate
CID 166122389
ethane;2-methyl-4-prop-1-en-2-ylpyridine
CID 166484279

Frequently Asked Questions

What is the IUPAC name of formamido 2-methylpyridine-4-carboxylate?
The IUPAC name of formamido 2-methylpyridine-4-carboxylate (CID 175524966) is formamido 2-methylpyridine-4-carboxylate.
What is the SMILES notation for formamido 2-methylpyridine-4-carboxylate?
The canonical SMILES for formamido 2-methylpyridine-4-carboxylate is Cc1cc(C(=O)ONC=O)ccn1.
What is the InChIKey of formamido 2-methylpyridine-4-carboxylate?
The InChIKey is PTIHZEQEIIQDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-6-4-7(2-3-9-6)8(12)13-10-5-11/h2-5H,1H3,(H,10,11).
What are the key properties of formamido 2-methylpyridine-4-carboxylate?
formamido 2-methylpyridine-4-carboxylate has a molecular weight of 180.16 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formamido 2-methylpyridine-4-carboxylate is sourced from PubChem (CID 175524966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).