(3-methyl-2-pyridinyl)methyl 4-amino-2-chlorobenzoate

C14H13ClN2O2 — CID 112550182

IUPAC(3-methyl-2-pyridinyl)methyl 4-amino-2-chlorobenzoate
SMILESCc1cccnc1COC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C14H13ClN2O2/c1-9-3-2-6-17-13(9)8-19-14(18)11-5-4-10(16)7-12(11)15/h2-7H,8,16H2,1H3
InChIKeyOOVGOTYGQCJLBC-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.98
Rot. Bonds3

About (3-methyl-2-pyridinyl)methyl 4-amino-2-chlorobenzoate

(3-methyl-2-pyridinyl)methyl 4-amino-2-chlorobenzoate (PubChem CID 112550182) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is (3-methyl-2-pyridinyl)methyl 4-amino-2-chlorobenzoate.

Molecular Properties

Compound Name(3-methyl-2-pyridinyl)methyl 4-amino-2-chlorobenzoate
PubChem CID112550182
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name(3-methyl-2-pyridinyl)methyl 4-amino-2-chlorobenzoate
SMILESCc1cccnc1COC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C14H13ClN2O2/c1-9-3-2-6-17-13(9)8-19-14(18)11-5-4-10(16)7-12(11)15/h2-7H,8,16H2,1H3
InChIKeyOOVGOTYGQCJLBC-UHFFFAOYSA-N
XLogP2.98
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-methyl-2-pyridinyl)methyl 5-amino-2,3-dichlorobenzoate
CID 103897833
(2,6-dimethylphenyl)methyl 4-amino-2-chlorobenzoate
CID 78998446
(2-methylphenyl)methyl 4-amino-2-chlorobenzoate
CID 61238994
(3-methyl-2-pyridinyl)methyl 5-amino-2-methylpyridine-3-carboxylate
CID 112651177
methyl 4-amino-2-[(3-methyl-2-pyridinyl)methoxy]benzoate
CID 106955000
(2-chloro-4-pyridinyl)methyl 4-amino-2-chlorobenzoate
CID 138041424
(3-methyl-2-pyridinyl)methyl 4-amino-1-methylpyrrole-2-carboxylate
CID 112651180
(2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate
CID 63450771
[4-(hydroxymethyl)phenyl]methyl 4-amino-2-chlorobenzoate
CID 115970023
(3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate
CID 63450120
(3-methyl-2-pyridinyl)methyl 3-amino-4-(dimethylamino)benzoate
CID 115982388
(4-fluorophenyl)methyl 4-amino-2-chlorobenzoate
CID 61236840

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-pyridinyl)methyl 4-amino-2-chlorobenzoate?
The IUPAC name of (3-methyl-2-pyridinyl)methyl 4-amino-2-chlorobenzoate (CID 112550182) is (3-methyl-2-pyridinyl)methyl 4-amino-2-chlorobenzoate.
What is the SMILES notation for (3-methyl-2-pyridinyl)methyl 4-amino-2-chlorobenzoate?
The canonical SMILES for (3-methyl-2-pyridinyl)methyl 4-amino-2-chlorobenzoate is Cc1cccnc1COC(=O)c1ccc(N)cc1Cl.
What is the InChIKey of (3-methyl-2-pyridinyl)methyl 4-amino-2-chlorobenzoate?
The InChIKey is OOVGOTYGQCJLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9-3-2-6-17-13(9)8-19-14(18)11-5-4-10(16)7-12(11)15/h2-7H,8,16H2,1H3.
What are the key properties of (3-methyl-2-pyridinyl)methyl 4-amino-2-chlorobenzoate?
(3-methyl-2-pyridinyl)methyl 4-amino-2-chlorobenzoate has a molecular weight of 276.72 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-pyridinyl)methyl 4-amino-2-chlorobenzoate is sourced from PubChem (CID 112550182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).