(4-methyl-2-pyridinyl)methylcarbamic acid

C8H10N2O2 — CID 155229563

IUPAC(4-methyl-2-pyridinyl)methylcarbamic acid
SMILESCc1ccnc(CNC(=O)O)c1
InChIInChI=1S/C8H10N2O2/c1-6-2-3-9-7(4-6)5-10-8(11)12/h2-4,10H,5H2,1H3,(H,11,12)
InChIKeyLZYUQIVHPXHKGH-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.16
Rot. Bonds2

About (4-methyl-2-pyridinyl)methylcarbamic acid

(4-methyl-2-pyridinyl)methylcarbamic acid (PubChem CID 155229563) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (4-methyl-2-pyridinyl)methylcarbamic acid.

Molecular Properties

Compound Name(4-methyl-2-pyridinyl)methylcarbamic acid
PubChem CID155229563
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(4-methyl-2-pyridinyl)methylcarbamic acid
SMILESCc1ccnc(CNC(=O)O)c1
InChIInChI=1S/C8H10N2O2/c1-6-2-3-9-7(4-6)5-10-8(11)12/h2-4,10H,5H2,1H3,(H,11,12)
InChIKeyLZYUQIVHPXHKGH-UHFFFAOYSA-N
XLogP1.16
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methyl-2-pyridinyl)methyl]acetamide
CID 121378939
N-[(4-methyl-2-pyridinyl)methyl]hydroxylamine
CID 82593929
butyl N-[(4-methyl-2-pyridinyl)methyl]carbamate
CID 155071735
(2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55293351
2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55267483
ethane;methyl 2-(4-methyl-2-pyridinyl)acetate
CID 144506268
2,3-dimethyl-5-[(4-methyl-2-pyridinyl)methylsulfamoyl]benzoic acid
CID 154742969
(2-methyl-4-pyridinyl)methylcarbamic acid
CID 89157251
(4-methyl-2-pyridinyl)methanol;hydrobromide
CID 133055836
methyl N-[3-(4-methyl-2-pyridinyl)-2-oxopropyl]carbamate
CID 158412826
(2-chloropyrimidin-4-yl)methylcarbamic acid
CID 118959185
methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate
CID 155904663

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyridinyl)methylcarbamic acid?
The IUPAC name of (4-methyl-2-pyridinyl)methylcarbamic acid (CID 155229563) is (4-methyl-2-pyridinyl)methylcarbamic acid.
What is the SMILES notation for (4-methyl-2-pyridinyl)methylcarbamic acid?
The canonical SMILES for (4-methyl-2-pyridinyl)methylcarbamic acid is Cc1ccnc(CNC(=O)O)c1.
What is the InChIKey of (4-methyl-2-pyridinyl)methylcarbamic acid?
The InChIKey is LZYUQIVHPXHKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-2-3-9-7(4-6)5-10-8(11)12/h2-4,10H,5H2,1H3,(H,11,12).
What are the key properties of (4-methyl-2-pyridinyl)methylcarbamic acid?
(4-methyl-2-pyridinyl)methylcarbamic acid has a molecular weight of 166.18 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyridinyl)methylcarbamic acid is sourced from PubChem (CID 155229563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).