(2-bromo-5-chloro-3-pyridinyl)-[(4-methoxyphenyl)methyl]carbamic acid

C14H12BrClN2O3 — CID 143610345

IUPAC(2-bromo-5-chloro-3-pyridinyl)-[(4-methoxyphenyl)methyl]carbamic acid
SMILESCOc1ccc(CN(C(=O)O)c2cc(Cl)cnc2Br)cc1
InChIInChI=1S/C14H12BrClN2O3/c1-21-11-4-2-9(3-5-11)8-18(14(19)20)12-6-10(16)7-17-13(12)15/h2-7H,8H2,1H3,(H,19,20)
InChIKeyIDUKSVNSTZWORS-UHFFFAOYSA-N
MW371.62 g/mol
LogP4.19
Rot. Bonds4

About (2-bromo-5-chloro-3-pyridinyl)-[(4-methoxyphenyl)methyl]carbamic acid

(2-bromo-5-chloro-3-pyridinyl)-[(4-methoxyphenyl)methyl]carbamic acid (PubChem CID 143610345) has the molecular formula C14H12BrClN2O3 and a molecular weight of 371.62 g/mol. Its IUPAC name is (2-bromo-5-chloro-3-pyridinyl)-[(4-methoxyphenyl)methyl]carbamic acid.

Molecular Properties

Compound Name(2-bromo-5-chloro-3-pyridinyl)-[(4-methoxyphenyl)methyl]carbamic acid
PubChem CID143610345
Molecular FormulaC14H12BrClN2O3
Molecular Weight371.62 g/mol
Exact Mass369.97
IUPAC Name(2-bromo-5-chloro-3-pyridinyl)-[(4-methoxyphenyl)methyl]carbamic acid
SMILESCOc1ccc(CN(C(=O)O)c2cc(Cl)cnc2Br)cc1
InChIInChI=1S/C14H12BrClN2O3/c1-21-11-4-2-9(3-5-11)8-18(14(19)20)12-6-10(16)7-17-13(12)15/h2-7H,8H2,1H3,(H,19,20)
InChIKeyIDUKSVNSTZWORS-UHFFFAOYSA-N
XLogP4.19
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.62
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[4-(bromomethyl)-2-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid
CID 118294574
(5-chloro-2-methoxyphenyl)-(pyridin-4-ylmethyl)carbamic acid
CID 66997017
2-bromo-5-chloro-N-[(4-methoxyphenyl)methyl]pyridin-3-amine
CID 58268233
[4-(bromomethyl)-5-methyl-2-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid
CID 135153897
(4-bromo-1,3-thiazol-2-yl)-[(4-methoxyphenyl)methyl]carbamic acid
CID 146190066
[5-chloro-2-(2,3-dimethylmorpholin-4-yl)-4-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid
CID 139392909
[4-(2-hydroxyethyl)-2-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid
CID 118294550
2-bromo-N,N-bis[(4-methoxyphenyl)methyl]acetamide
CID 10904936
CID 158001068
CID 158001068
N-[(4-methoxyphenyl)methyl]-N-(4-phenoxy-3-pyridinyl)acetamide
CID 75412382
(4-chloro-2-methylsulfanylpyrimidin-5-yl)methyl-(4-methoxyphenyl)carbamic acid
CID 154963718
2-[chloro-[(4-methoxyphenyl)methyl]amino]pyridine-4-carboxylic acid
CID 87576937

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-chloro-3-pyridinyl)-[(4-methoxyphenyl)methyl]carbamic acid?
The IUPAC name of (2-bromo-5-chloro-3-pyridinyl)-[(4-methoxyphenyl)methyl]carbamic acid (CID 143610345) is (2-bromo-5-chloro-3-pyridinyl)-[(4-methoxyphenyl)methyl]carbamic acid.
What is the SMILES notation for (2-bromo-5-chloro-3-pyridinyl)-[(4-methoxyphenyl)methyl]carbamic acid?
The canonical SMILES for (2-bromo-5-chloro-3-pyridinyl)-[(4-methoxyphenyl)methyl]carbamic acid is COc1ccc(CN(C(=O)O)c2cc(Cl)cnc2Br)cc1.
What is the InChIKey of (2-bromo-5-chloro-3-pyridinyl)-[(4-methoxyphenyl)methyl]carbamic acid?
The InChIKey is IDUKSVNSTZWORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O3/c1-21-11-4-2-9(3-5-11)8-18(14(19)20)12-6-10(16)7-17-13(12)15/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of (2-bromo-5-chloro-3-pyridinyl)-[(4-methoxyphenyl)methyl]carbamic acid?
(2-bromo-5-chloro-3-pyridinyl)-[(4-methoxyphenyl)methyl]carbamic acid has a molecular weight of 371.62 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-chloro-3-pyridinyl)-[(4-methoxyphenyl)methyl]carbamic acid is sourced from PubChem (CID 143610345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).