(2-bromophenyl)methyl 6-aminopyridine-3-carboxylate

C13H11BrN2O2 — CID 82824568

IUPAC(2-bromophenyl)methyl 6-aminopyridine-3-carboxylate
SMILESNc1ccc(C(=O)OCc2ccccc2Br)cn1
InChIInChI=1S/C13H11BrN2O2/c14-11-4-2-1-3-10(11)8-18-13(17)9-5-6-12(15)16-7-9/h1-7H,8H2,(H2,15,16)
InChIKeyMMGFYASYRWECNR-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.78
Rot. Bonds3

About (2-bromophenyl)methyl 6-aminopyridine-3-carboxylate

(2-bromophenyl)methyl 6-aminopyridine-3-carboxylate (PubChem CID 82824568) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is (2-bromophenyl)methyl 6-aminopyridine-3-carboxylate.

Molecular Properties

Compound Name(2-bromophenyl)methyl 6-aminopyridine-3-carboxylate
PubChem CID82824568
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name(2-bromophenyl)methyl 6-aminopyridine-3-carboxylate
SMILESNc1ccc(C(=O)OCc2ccccc2Br)cn1
InChIInChI=1S/C13H11BrN2O2/c14-11-4-2-1-3-10(11)8-18-13(17)9-5-6-12(15)16-7-9/h1-7H,8H2,(H2,15,16)
InChIKeyMMGFYASYRWECNR-UHFFFAOYSA-N
XLogP2.78
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromophenyl)methyl 2-aminopyridine-4-carboxylate
CID 82824073
(2-bromophenyl)methyl 4-chlorobenzoate
CID 102346194
(2-chlorophenyl)methyl 6-bromopyridine-3-carboxylate
CID 66465143
(2-bromophenyl)methyl 4-(diethylamino)benzoate
CID 174627665
methyl 6-[(2-bromophenyl)methoxymethyl]pyridine-3-carboxylate
CID 82828515
(2-bromophenyl)methyl 4-(2-aminoethyl)benzoate
CID 82824669
(2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate
CID 113236225
(2-bromophenyl)methyl 3-sulfanylbenzoate
CID 107019010
(2-bromophenyl)methyl 4-[(carbamoylamino)methyl]benzoate
CID 32959565
(2-bromophenyl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7275099
(2-bromophenyl)methyl 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 9067189
(2-bromophenyl)methyl 6-chloropyrazine-2-carboxylate
CID 106547527

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl 6-aminopyridine-3-carboxylate?
The IUPAC name of (2-bromophenyl)methyl 6-aminopyridine-3-carboxylate (CID 82824568) is (2-bromophenyl)methyl 6-aminopyridine-3-carboxylate.
What is the SMILES notation for (2-bromophenyl)methyl 6-aminopyridine-3-carboxylate?
The canonical SMILES for (2-bromophenyl)methyl 6-aminopyridine-3-carboxylate is Nc1ccc(C(=O)OCc2ccccc2Br)cn1.
What is the InChIKey of (2-bromophenyl)methyl 6-aminopyridine-3-carboxylate?
The InChIKey is MMGFYASYRWECNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c14-11-4-2-1-3-10(11)8-18-13(17)9-5-6-12(15)16-7-9/h1-7H,8H2,(H2,15,16).
What are the key properties of (2-bromophenyl)methyl 6-aminopyridine-3-carboxylate?
(2-bromophenyl)methyl 6-aminopyridine-3-carboxylate has a molecular weight of 307.15 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methyl 6-aminopyridine-3-carboxylate is sourced from PubChem (CID 82824568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).